CID 82791129

1551711-18-2

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CC1=CC=CC=C1N2C=NC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)17-9-16-12-7-6-11(15(18)19)8-14(12)17/h2-9H,1H3,(H,18,19)
InChIKey
DHTAOGFJEXZAHE-UHFFFAOYSA-N
Compound name
3-(2-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 155.3
[M+Na]+ 275.07909 166.1
[M-H]- 251.08259 160.3
[M+NH4]+ 270.12369 172.1
[M+K]+ 291.05303 161.0
[M+H-H2O]+ 235.08713 147.3
[M+HCOO]- 297.08807 176.8
[M+CH3COO]- 311.10372 168.2
[M+Na-2H]- 273.06454 160.4
[M]+ 252.08932 157.7
[M]- 252.09042 157.7
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

No patent data available for this compound.