CID 445686

1h-1,3-benzodiazole-2-carboxamide

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)C(=O)N
InChI
InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)
InChIKey
XIZCDQOKKYYCRH-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1198
Patents

161.05891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.0
[M+Na]+ 184.048128 140.0
[M-H]- 160.051634 131.0
[M+NH4]+ 179.092733 149.9
[M+K]+ 200.022068 136.3
[M+H-H2O]+ 144.056170 123.3
[M+HCOO]- 206.057111 152.8
[M+CH3COO]- 220.072761 143.6
[M+Na-2H]- 182.033576 137.5
[M]+ 161.05836142 128.6
[M]- 161.05945858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe