CID 28398121

870002-06-5

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)NC2=O
InChI
InChI=1S/C15H12N2O3/c18-14(19)11-6-7-13-12(8-11)16-15(20)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,20)(H,18,19)
InChIKey
PRIJQOZROYTGSF-UHFFFAOYSA-N
Compound name
1-benzyl-2-oxo-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

268.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 158.1
[M+Na]+ 291.073998 168.4
[M-H]- 267.077504 161.7
[M+NH4]+ 286.118603 173.3
[M+K]+ 307.047938 162.5
[M+H-H2O]+ 251.082040 150.2
[M+HCOO]- 313.082981 178.4
[M+CH3COO]- 327.098631 170.0
[M+Na-2H]- 289.059446 162.8
[M]+ 268.08423142 159.3
[M]- 268.08532858 159.3
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