Muraglitazar (C29H28N2O7)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)

InChIKey

IRLWJILLXJGJTD-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid

Related CIDs

2D Structure

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]+	517.19692	224.2
[M+Na]+	539.17886	227.2
[M-H]-	515.18236	236.1
[M+NH4]+	534.22346	227.4
[M+K]+	555.15280	226.2
[M+H-H2O]+	499.18690	212.0
[M+HCOO]-	561.18784	243.7
[M+CH3COO]-	575.20349	245.2
[M+Na-2H]-	537.16431	221.9
[M]+	516.18909	231.8
[M]-	516.19019	231.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.19692

224.2

[M+Na]+

539.17886

227.2

[M-H]-

515.18236

236.1

[M+NH4]+

534.22346

227.4

[M+K]+

555.15280

226.2

[M+H-H2O]+

499.18690

212.0

[M+HCOO]-

561.18784

243.7

[M+CH3COO]-

575.20349

245.2

[M+Na-2H]-

537.16431

221.9

[M]+

516.18909

231.8

[M]-

516.19019

231.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Muraglitazar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe