CID 88937

2-[4-(dimethylamino)benzoyl]benzoic acid

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

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

InChIKey

KAWOFQZCZFQCSH-UHFFFAOYSA-N

Compound name

2-[4-(dimethylamino)benzoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 269.1052 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]+	270.11248	161.1
[M+Na]+	292.09442	173.7
[M+NH4]+	287.13902	168.3
[M+K]+	308.06836	168.2
[M-H]-	268.09792	164.9
[M+Na-2H]-	290.07987	169.0
[M]+	269.10465	163.8
[M]-	269.10575	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe