CID 86278298

N-desmethyl-o-hydroxy rosiglitazone

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
C1=CC(=C(N=C1)NCCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O
InChI
InChI=1S/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23)
InChIKey
GWVBGLUFILBNNY-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(3-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 180.4
[M+Na]+ 382.08318 187.1
[M-H]- 358.08668 185.2
[M+NH4]+ 377.12778 190.8
[M+K]+ 398.05712 180.8
[M+H-H2O]+ 342.09122 171.7
[M+HCOO]- 404.09216 194.8
[M+CH3COO]- 418.10781 208.3
[M+Na-2H]- 380.06863 179.7
[M]+ 359.09341 180.9
[M]- 359.09451 180.9
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.