CID 68352026

1207452-23-0

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC2=C(C=C1C(=O)N)NC(=N2)N
InChI
InChI=1S/C8H8N4O/c9-7(13)4-1-2-5-6(3-4)12-8(10)11-5/h1-3H,(H2,9,13)(H3,10,11,12)
InChIKey
MVZXAQTVSPDLMF-UHFFFAOYSA-N
Compound name
2-amino-3H-benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

176.06981 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 133.8
[M+Na]+ 199.059028 143.7
[M-H]- 175.062534 134.7
[M+NH4]+ 194.103633 152.7
[M+K]+ 215.032968 139.8
[M+H-H2O]+ 159.067070 126.9
[M+HCOO]- 221.068011 157.0
[M+CH3COO]- 235.083661 146.9
[M+Na-2H]- 197.044476 140.0
[M]+ 176.06926142 131.1
[M]- 176.07035858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe