PubChemLite - Troglitazone (C24H27NO5S)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C

InChI

InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)

InChIKey

GXPHKUHSUJUWKP-UHFFFAOYSA-N

Compound name

5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-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]+	442.16826	205.4
[M+Na]+	464.15020	217.6
[M+NH4]+	459.19480	213.0
[M+K]+	480.12414	209.3
[M-H]-	440.15370	210.5
[M+Na-2H]-	462.13565	209.6
[M]+	441.16043	209.2
[M]-	441.16153	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.16826

205.4

[M+Na]+

464.15020

217.6

[M+NH4]+

459.19480

213.0

[M+K]+

480.12414

209.3

[M-H]-

440.15370

210.5

[M+Na-2H]-

462.13565

209.6

[M]+

441.16043

209.2

[M]-

441.16153

209.2

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

Troglitazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe