CID 131769972

N-desmethyl-p-hydroxyrosiglitazone

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OCCNC3=NC=C(C=C3)O
InChI
InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)
InChIKey
SVUUNTJZVPNZSL-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(5-hydroxypyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10124 182.6
[M+Na]+ 382.08318 193.1
[M+NH4]+ 377.12778 188.0
[M+K]+ 398.05712 187.3
[M-H]- 358.08668 185.5
[M+Na-2H]- 380.06863 188.1
[M]+ 359.09341 185.0
[M]- 359.09451 185.0
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

No patent data available for this compound.