CID 4525792

1-(3-methylphenyl)-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15(18)19)5-6-14(13)17/h2-9H,1H3,(H,18,19)
InChIKey
BRRXKUBZCCPROK-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.7
[M+Na]+ 275.07909 171.2
[M+NH4]+ 270.12369 163.7
[M+K]+ 291.05303 166.0
[M-H]- 251.08259 158.8
[M+Na-2H]- 273.06454 164.0
[M]+ 252.08932 158.8
[M]- 252.09042 158.8
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

No patent data available for this compound.