PubChemLite - Rivoglitazone (C20H19N3O4S)

Structural Information

Molecular Formula

SMILES

CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4

InChI

InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)

InChIKey

XMSXOLDPMGMWTH-UHFFFAOYSA-N

Compound name

5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]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]+	398.11690	193.2
[M+Na]+	420.09884	203.9
[M-H]-	396.10234	200.5
[M+NH4]+	415.14344	205.3
[M+K]+	436.07278	197.9
[M+H-H2O]+	380.10688	185.3
[M+HCOO]-	442.10782	207.9
[M+CH3COO]-	456.12347	203.4
[M+Na-2H]-	418.08429	189.9
[M]+	397.10907	199.8
[M]-	397.11017	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.11690

193.2

[M+Na]+

420.09884

203.9

[M-H]-

396.10234

200.5

[M+NH4]+

415.14344

205.3

[M+K]+

436.07278

197.9

[M+H-H2O]+

380.10688

185.3

[M+HCOO]-

442.10782

207.9

[M+CH3COO]-

456.12347

203.4

[M+Na-2H]-

418.08429

189.9

[M]+

397.10907

199.8

[M]-

397.11017

199.8

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

Rivoglitazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe