PubChemLite - 9-hydroxy muraglitazar (C29H28N2O8)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(COC3=CC=C(C=C3)CN(CC(=O)O)C(=O)OC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C29H28N2O8/c1-19-27(30-28(38-19)21-6-4-3-5-7-21)25(32)18-37-23-10-8-20(9-11-23)16-31(17-26(33)34)29(35)39-24-14-12-22(36-2)13-15-24/h3-15,25,32H,16-18H2,1-2H3,(H,33,34)

InChIKey

UACPJKHKQTVBSZ-UHFFFAOYSA-N

Compound name

2-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]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]+	533.19188	226.5
[M+Na]+	555.17382	237.4
[M+NH4]+	550.21842	229.0
[M+K]+	571.14776	235.4
[M-H]-	531.17732	232.2
[M+Na-2H]-	553.15927	232.8
[M]+	532.18405	229.3
[M]-	532.18515	229.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.19188

226.5

[M+Na]+

555.17382

237.4

[M+NH4]+

550.21842

229.0

[M+K]+

571.14776

235.4

[M-H]-

531.17732

232.2

[M+Na-2H]-

553.15927

232.8

[M]+

532.18405

229.3

[M]-

532.18515

229.3

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

9-hydroxy muraglitazar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe