CID 201532

Acetic acid, (o-(p-toluamido)phenoxy)-

Structural Information

Molecular Formula

C₁₆H₁₅NO₄

SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OCC(=O)O

InChI

InChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)16(20)17-13-4-2-3-5-14(13)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)

InChIKey

OFGWODKAYRKGQJ-UHFFFAOYSA-N

Compound name

2-[2-[(4-methylbenzoyl)amino]phenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.1001 Da
Monoisotopic Mass: 2.7
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]+	286.107376	164.0
[M+Na]+	308.089318	169.9
[M-H]-	284.092824	169.4
[M+NH4]+	303.133923	178.2
[M+K]+	324.063258	167.0
[M+H-H2O]+	268.097360	156.0
[M+HCOO]-	330.098301	186.4
[M+CH3COO]-	344.113951	200.6
[M+Na-2H]-	306.074766	167.1
[M]+	285.09955142	164.9
[M]-	285.10064858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe