CID 668089

19368-13-9

Structural Information

Molecular Formula

C₁₆H₁₃NO₄

SMILES

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

InChI

InChI=1S/C16H13NO4/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)

InChIKey

GASBNSDQMPFNPZ-UHFFFAOYSA-N

Compound name

2-[(4-acetylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 283.08447 Da
Monoisotopic Mass: 2.0
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]+	284.091746	162.6
[M+Na]+	306.073688	168.6
[M-H]-	282.077194	168.2
[M+NH4]+	301.118293	176.8
[M+K]+	322.047628	165.6
[M+H-H2O]+	266.081730	155.0
[M+HCOO]-	328.082671	184.3
[M+CH3COO]-	342.098321	200.8
[M+Na-2H]-	304.059136	164.6
[M]+	283.08392142	162.3
[M]-	283.08501858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe