CID 228458

N-aminobenzimidazol-2-ylcarboxamide

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C2C(=C1)NC(=N2)C(=O)NN
InChI
InChI=1S/C8H8N4O/c9-12-8(13)7-10-5-3-1-2-4-6(5)11-7/h1-4H,9H2,(H,10,11)(H,12,13)
InChIKey
XHGUARKPBKURMR-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

176.06981 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 133.0
[M+Na]+ 199.05903 142.1
[M-H]- 175.06253 134.0
[M+NH4]+ 194.10363 151.9
[M+K]+ 215.03297 138.4
[M+H-H2O]+ 159.06707 125.8
[M+HCOO]- 221.06801 156.8
[M+CH3COO]- 235.08366 146.0
[M+Na-2H]- 197.04448 141.1
[M]+ 176.06926 130.8
[M]- 176.07036 130.8
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