CID 98770

17332-43-3

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

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

InChI

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

InChIKey

NANJTVUHWVLWBC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 269.1052 Da
Monoisotopic Mass: 2.5
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