CID 309568

3-(2-phenoxyacetamido)benzoic acid

Structural Information

Molecular Formula

C₁₅H₁₃NO₄

SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H13NO4/c17-14(10-20-13-7-2-1-3-8-13)16-12-6-4-5-11(9-12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)

InChIKey

ATAGZRHZVPKKFY-UHFFFAOYSA-N

Compound name

3-[(2-phenoxyacetyl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 271.08447 Da
Monoisotopic Mass: 2.3
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	161.0
[M+Na]+	294.07369	172.7
[M+NH4]+	289.11829	167.4
[M+K]+	310.04763	167.2
[M-H]-	270.07719	163.9
[M+Na-2H]-	292.05914	168.5
[M]+	271.08392	163.2
[M]-	271.08502	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe