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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:54 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155593
Frequency0.5
Structure
Chemical FormulaC13H13N2+
Molecular Mass197.1073
SMILESCc1ccc2[n+](c1)Cc1ccccc1N2
InChI KeyIJRITCBNFLGBBC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • secondary amines
    • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • secondary amine
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • quinazoline
  • amine