CID 5274840

Chembl185288

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CN=CC=C3)C(=O)N
InChI
InChI=1S/C13H10N4O/c14-12(18)9-4-1-5-10-11(9)17-13(16-10)8-3-2-6-15-7-8/h1-7H,(H2,14,18)(H,16,17)
InChIKey
ACLJKEBNZAPJKS-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

238.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 151.1
[M+Na]+ 261.07468 161.0
[M-H]- 237.07818 154.0
[M+NH4]+ 256.11928 166.1
[M+K]+ 277.04862 155.1
[M+H-H2O]+ 221.08272 142.2
[M+HCOO]- 283.08366 172.2
[M+CH3COO]- 297.09931 163.0
[M+Na-2H]- 259.06013 157.6
[M]+ 238.08491 149.8
[M]- 238.08601 149.8
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