CID 10119132

Didehydro rosiglitazone, (5z)-

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
CN(CCOC1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)S2)C3=CC=CC=N3
InChI
InChI=1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12-
InChIKey
HCDYSWMAMRPMST-QINSGFPZSA-N
Compound name
(5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

161
Patents

355.09906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 182.5
[M+Na]+ 378.08828 189.1
[M-H]- 354.09178 189.6
[M+NH4]+ 373.13288 194.2
[M+K]+ 394.06222 183.5
[M+H-H2O]+ 338.09632 173.1
[M+HCOO]- 400.09726 198.5
[M+CH3COO]- 414.11291 211.8
[M+Na-2H]- 376.07373 181.2
[M]+ 355.09851 183.7
[M]- 355.09961 183.7
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