CID 619926

92437-43-9

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)
InChIKey
HLIJMHKQYSUDOJ-UHFFFAOYSA-N
Compound name
2-methyl-1-phenylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

80
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

literature stripe

Patent stripe

patents stripe