CID 9864316

5-hydroxy rosiglitazone

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O
InChI
InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)
InChIKey
AGQGGZNSVNKGDU-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(5-hydroxypyridin-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

373.10962 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 186.2
[M+Na]+ 396.09884 196.8
[M+NH4]+ 391.14344 191.7
[M+K]+ 412.07278 191.3
[M-H]- 372.10234 189.5
[M+Na-2H]- 394.08429 191.8
[M]+ 373.10907 188.7
[M]- 373.11017 188.7
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