CID 13749030

2-(6-methyl-1h-1,3-benzodiazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
NREFEFKHWHPJTO-UHFFFAOYSA-N
Compound name
2-(6-methyl-1H-benzimidazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 156.3
[M+Na]+ 275.07909 171.2
[M+NH4]+ 270.12369 163.9
[M+K]+ 291.05303 166.3
[M-H]- 251.08259 158.8
[M+Na-2H]- 273.06454 163.9
[M]+ 252.08932 159.1
[M]- 252.09042 159.1
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