CID 4147757

Hydroxypioglitazone

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CC(C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O
InChI
InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
InChIKey
OXVFDZYQLGRLCD-UHFFFAOYSA-N
Compound name
5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

268
Patents

372.11438 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 186.6
[M+Na]+ 395.10360 193.0
[M-H]- 371.10710 191.2
[M+NH4]+ 390.14820 196.8
[M+K]+ 411.07754 187.0
[M+H-H2O]+ 355.11164 178.2
[M+HCOO]- 417.11258 198.3
[M+CH3COO]- 431.12823 209.9
[M+Na-2H]- 393.08905 183.0
[M]+ 372.11383 187.9
[M]- 372.11493 187.9
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.