Metabolite Pioglitazone metabolite M-I

Name

Pioglitazone metabolite M-I

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

M8U25244KP

CAS number

Not Available

Weight

Average: 223.248
Monoisotopic: 223.030313849

Chemical Formula

C₁₀H₉NO₃S

InChI Key

NKOHRVBBQISBSB-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)

IUPAC Name

5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

SMILES

OC1=CC=C(CC2SC(=O)NC2=O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0090000000-a38f0242209fa8c71b5e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-2290000000-5c09d681f237ff2c4e1c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0kmi-1960000000-41e1eaf8d38c91e7bee8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000x-9200000000-72872241478f8e0db374
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-9700000000-3099bcf43165d0d3220a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-9200000000-064ba68ffb80ee9e8185

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	143.04991	predicted	DeepCCS 1.0 (2019)
[M+H]+	145.44548	predicted	DeepCCS 1.0 (2019)
[M+Na]+	151.87045	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties