CID 792715

7554-80-5

Structural Information

Molecular Formula

C₁₅H₁₃NO₄

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

InChIKey

XTTYEBLAICLDJE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 271.08447 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]+	272.09175	160.7
[M+Na]+	294.07369	172.8
[M+NH4]+	289.11829	167.2
[M+K]+	310.04763	167.5
[M-H]-	270.07719	163.6
[M+Na-2H]-	292.05914	168.0
[M]+	271.08392	163.0
[M]-	271.08502	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe