CID 30441

N-(3-benzoylphenyl)anthranilic acid

Structural Information

Molecular Formula

C₂₀H₁₅NO₃

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H15NO3/c22-19(14-7-2-1-3-8-14)15-9-6-10-16(13-15)21-18-12-5-4-11-17(18)20(23)24/h1-13,21H,(H,23,24)

InChIKey

HUEYEAPOFINHSA-UHFFFAOYSA-N

Compound name

2-(3-benzoylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.1052 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	318.112476	173.1
[M+Na]+	340.094418	178.5
[M-H]-	316.097924	181.4
[M+NH4]+	335.139023	185.3
[M+K]+	356.068358	173.5
[M+H-H2O]+	300.102460	163.9
[M+HCOO]-	362.103401	195.1
[M+CH3COO]-	376.119051	207.3
[M+Na-2H]-	338.079866	176.6
[M]+	317.10465142	171.4
[M]-	317.10574858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.