CID 119703

Anthranilic acid, n-(m-acetylphenyl)-

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

CC(=O)C1=CC(=CC=C1)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13NO3/c1-10(17)11-5-4-6-12(9-11)16-14-8-3-2-7-13(14)15(18)19/h2-9,16H,1H3,(H,18,19)

InChIKey

URNBQFPUGNNQRC-UHFFFAOYSA-N

Compound name

2-(3-acetylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 255.08954 Da
Monoisotopic Mass: 4.3
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]+	256.09682	156.2
[M+Na]+	278.07876	162.7
[M-H]-	254.08226	161.8
[M+NH4]+	273.12336	171.7
[M+K]+	294.05270	159.2
[M+H-H2O]+	238.08680	148.7
[M+HCOO]-	300.08774	178.7
[M+CH3COO]-	314.10339	196.1
[M+Na-2H]-	276.06421	159.8
[M]+	255.08899	155.4
[M]-	255.09009	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe