CID 82783837

1545364-61-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 159.1
[M+Na]+ 291.07400 173.5
[M+NH4]+ 286.11860 165.8
[M+K]+ 307.04794 169.1
[M-H]- 267.07750 160.9
[M+Na-2H]- 289.05945 166.1
[M]+ 268.08423 161.5
[M]- 268.08533 161.5
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.