PubChemLite - Edaglitazone (C24H20N2O4S2)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)CC5C(=O)NC(=O)S5

InChI

InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)

InChIKey

HAAXAFNSRADSMK-UHFFFAOYSA-N

Compound name

5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione

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]+	465.09374	205.8
[M+Na]+	487.07568	219.2
[M+NH4]+	482.12028	213.1
[M+K]+	503.04962	213.4
[M-H]-	463.07918	213.0
[M+Na-2H]-	485.06113	211.5
[M]+	464.08591	210.8
[M]-	464.08701	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.09374

205.8

[M+Na]+

487.07568

219.2

[M+NH4]+

482.12028

213.1

[M+K]+

503.04962

213.4

[M-H]-

463.07918

213.0

[M+Na-2H]-

485.06113

211.5

[M]+

464.08591

210.8

[M]-

464.08701

210.8

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

Edaglitazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe