CID 4237

Mofezolac

Structural Information

Molecular Formula

C₁₉H₁₇NO₅

SMILES

COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)

InChIKey

DJEIHHYCDCTAAH-UHFFFAOYSA-N

Compound name

2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 53
References: 5932
Patents: 339.1107 Da
Monoisotopic Mass: 3.1
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]+	340.11798	177.3
[M+Na]+	362.09992	185.6
[M-H]-	338.10342	186.1
[M+NH4]+	357.14452	189.0
[M+K]+	378.07386	183.2
[M+H-H2O]+	322.10796	168.5
[M+HCOO]-	384.10890	198.5
[M+CH3COO]-	398.12455	208.3
[M+Na-2H]-	360.08537	178.8
[M]+	339.11015	182.9
[M]-	339.11125	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe