CID 295107

17332-48-8

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

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

InChI

InChI=1S/C16H15NO3/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)

InChIKey

DBKSCNINEZDXAU-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 269.1052 Da
Monoisotopic Mass: 3.0
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]+	270.11248	162.0
[M+Na]+	292.09442	174.8
[M+NH4]+	287.13902	168.9
[M+K]+	308.06836	168.9
[M-H]-	268.09792	165.5
[M+Na-2H]-	290.07987	169.3
[M]+	269.10465	164.7
[M]-	269.10575	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe