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-hydroxy-2-pyridinyl)-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]+ 374.116896 185.3
[M+Na]+ 396.098838 191.6
[M-H]- 372.102344 191.4
[M+NH4]+ 391.143443 195.7
[M+K]+ 412.072778 186.5
[M+H-H2O]+ 356.106880 176.3
[M+HCOO]- 418.107821 199.8
[M+CH3COO]- 432.123471 214.4
[M+Na-2H]- 394.084286 183.4
[M]+ 373.10907142 187.3
[M]- 373.11016858 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.