CID 4829

Pioglitazone

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
InChIKey
HYAFETHFCAUJAY-UHFFFAOYSA-N
Compound name
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4675
References

87080
Patents

356.11948 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 184.0
[M+Na]+ 379.10870 191.5
[M-H]- 355.11220 189.9
[M+NH4]+ 374.15330 195.7
[M+K]+ 395.08264 185.0
[M+H-H2O]+ 339.11674 175.1
[M+HCOO]- 401.11768 198.0
[M+CH3COO]- 415.13333 209.1
[M+Na-2H]- 377.09415 181.3
[M]+ 356.11893 186.1
[M]- 356.12003 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.