CID 513895

669070-64-8

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)(H,17,18)
InChIKey
HCHZJVIOJPDFKA-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

239.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07675 150.8
[M+Na]+ 262.05869 161.0
[M-H]- 238.06219 152.9
[M+NH4]+ 257.10329 165.6
[M+K]+ 278.03263 155.3
[M+H-H2O]+ 222.06673 142.3
[M+HCOO]- 284.06767 170.1
[M+CH3COO]- 298.08332 162.7
[M+Na-2H]- 260.04414 157.2
[M]+ 239.06892 150.7
[M]- 239.07002 150.7
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