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

9
Patents

239.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.076746 150.8
[M+Na]+ 262.058688 161.0
[M-H]- 238.062194 152.9
[M+NH4]+ 257.103293 165.6
[M+K]+ 278.032628 155.3
[M+H-H2O]+ 222.066730 142.3
[M+HCOO]- 284.067671 170.1
[M+CH3COO]- 298.083321 162.7
[M+Na-2H]- 260.044136 157.2
[M]+ 239.06892142 150.7
[M]- 239.07001858 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