PubChemLite - Peliglitazar (C30H30N2O7)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)[C@H](C)N(CC(=O)O)C(=O)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H30N2O7/c1-20(32(19-28(33)34)30(35)39-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)38-29(31-27)23-7-5-4-6-8-23/h4-16,20H,17-19H2,1-3H3,(H,33,34)/t20-/m0/s1

InChIKey

CUADMYMMZWFUCY-FQEVSTJZSA-N

Compound name

2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]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]+	531.21258	228.2
[M+Na]+	553.19452	230.4
[M-H]-	529.19802	240.1
[M+NH4]+	548.23912	230.8
[M+K]+	569.16846	229.9
[M+H-H2O]+	513.20256	216.1
[M+HCOO]-	575.20350	246.4
[M+CH3COO]-	589.21915	249.0
[M+Na-2H]-	551.17997	224.4
[M]+	530.20475	235.6
[M]-	530.20585	235.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.21258

228.2

[M+Na]+

553.19452

230.4

[M-H]-

529.19802

240.1

[M+NH4]+

548.23912

230.8

[M+K]+

569.16846

229.9

[M+H-H2O]+

513.20256

216.1

[M+HCOO]-

575.20350

246.4

[M+CH3COO]-

589.21915

249.0

[M+Na-2H]-

551.17997

224.4

[M]+

530.20475

235.6

[M]-

530.20585

235.6

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

Peliglitazar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe