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N-[2-(4-chlorophenyl)ethyl]-4-keto-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide
SpectraBase Compound ID jjMAVC7esm
InChI InChI=1S/C18H14ClN5O2/c19-12-7-5-11(6-8-12)9-10-20-16(25)15-17(26)24-14-4-2-1-3-13(14)21-18(24)23-22-15/h1-8H,9-10H2,(H,20,25)(H,21,23)
InChIKey IJUKENKYNFWOQE-UHFFFAOYSA-N
Mol Weight 367.8 g/mol
Molecular Formula C18H14ClN5O2
Exact Mass 367.083602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BopkQw8aj6L
Name N-[2-(4-chlorophenyl)ethyl]-4-keto-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide
Alternate Name(s) N-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide N-[2-(4-chlorophenyl)ethyl]-4-oxo-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H14ClN5O2
InChI InChI=1S/C18H14ClN5O2/c19-12-7-5-11(6-8-12)9-10-20-16(25)15-17(26)24-14-4-2-1-3-13(14)21-18(24)23-22-15/h1-8H,9-10H2,(H,20,25)(H,21,23)
InChIKey IJUKENKYNFWOQE-UHFFFAOYSA-N
Molecular Weight 367.796 g/mol
SMILES N(C(C=1C(N2C(=NN1)Nc1c2cccc1)=O)=O)CCc1ccc(cc1)Cl
SPLASH splash10-03di-0090000000-eac46632e4a9aceebe0c
Source of Spectrum D9-336-418-11
Wiley ID 1551089