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2-(2-amino-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)benzoic acid
SpectraBase Compound ID IxOeuOfALbZ
InChI InChI=1S/C16H13N5O2/c17-15-19-13(9-5-1-2-6-10(9)14(22)23)21-12-8-4-3-7-11(12)18-16(21)20-15/h1-8,13H,(H,22,23)(H3,17,18,19,20)
InChIKey WCNSLLKKSQGAPH-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C16H13N5O2
Exact Mass 307.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ge9IyMZGP56
Name 2-(2-amino-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C16H13N5O2
InChI InChI=1S/C16H13N5O2/c17-15-19-13(9-5-1-2-6-10(9)14(22)23)21-12-8-4-3-7-11(12)18-16(21)20-15/h1-8,13H,(H,22,23)(H3,17,18,19,20)
InChIKey WCNSLLKKSQGAPH-UHFFFAOYSA-N
Molecular Weight 307.313 g/mol
SMILES N1C(=Nc2[n](C1c1c(C(=O)O)cccc1)c1c(n2)cccc1)N
SPLASH splash10-0a4i-0900000000-ce79da255a8a8743f611
Source of Spectrum AJ-42-1420-2
Synonyms 2-(2-azanyl-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)benzoic acid
Wiley ID 1568299