CID 100995317

Ortho-hydroxyrosiglitazone

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=C(C=CC=N3)O
InChI
InChI=1S/C18H19N3O4S/c1-21(16-14(22)3-2-8-19-16)9-10-25-13-6-4-12(5-7-13)11-15-17(23)20-18(24)26-15/h2-8,15,22H,9-11H2,1H3,(H,20,23,24)
InChIKey
KQXWMUFVDAFGPU-UHFFFAOYSA-N
Compound name
5-[[4-[2-[(3-hydroxypyridin-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 185.3
[M+Na]+ 396.09884 191.6
[M-H]- 372.10234 191.4
[M+NH4]+ 391.14344 195.7
[M+K]+ 412.07278 186.5
[M+H-H2O]+ 356.10688 176.3
[M+HCOO]- 418.10782 199.8
[M+CH3COO]- 432.12347 214.4
[M+Na-2H]- 394.08429 183.4
[M]+ 373.10907 187.3
[M]- 373.11017 187.3
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.