CID 11499662

2-(pyridin-3-yl)-1h-1,3-benzodiazole-4-carboxylic acid

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 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

No literature data available for this compound.

Patent stripe

patents stripe