CID 6821

N-m-tolylphthalamic acid

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

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

InChIKey

AZPJXONNBLOZFE-UHFFFAOYSA-N

Compound name

2-[(3-methylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 535
Patents: 255.08954 Da
Monoisotopic Mass: 2.6
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]+	256.096816	156.4
[M+Na]+	278.078758	163.0
[M-H]-	254.082264	162.1
[M+NH4]+	273.123363	172.1
[M+K]+	294.052698	159.6
[M+H-H2O]+	238.086800	149.0
[M+HCOO]-	300.087741	179.0
[M+CH3COO]-	314.103391	195.4
[M+Na-2H]-	276.064206	160.0
[M]+	255.08899142	155.6
[M]-	255.09008858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe