CID 11499662

124340-89-2

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CN=CC=C3)C(=O)O
InChI
InChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18)
InChIKey
JORAKCUOJBWTKP-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 151.4
[M+Na]+ 262.05869 166.1
[M+NH4]+ 257.10329 158.5
[M+K]+ 278.03263 161.8
[M-H]- 238.06219 153.1
[M+Na-2H]- 260.04414 159.4
[M]+ 239.06892 153.9
[M]- 239.07002 153.9
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