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-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4648
References

84138
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 185.0
[M+Na]+ 379.10870 197.6
[M+NH4]+ 374.15330 191.6
[M+K]+ 395.08264 189.9
[M-H]- 355.11220 188.7
[M+Na-2H]- 377.09415 191.2
[M]+ 356.11893 188.2
[M]- 356.12003 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe