CID 77999

Rosiglitazone

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
InChI
InChI=1S/C18H19N3O3S/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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
InChIKey
YASAKCUCGLMORW-UHFFFAOYSA-N
Compound name
5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5136
References

91689
Patents

357.11472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 182.5
[M+Na]+ 380.10394 188.8
[M-H]- 356.10744 189.6
[M+NH4]+ 375.14854 194.2
[M+K]+ 396.07788 183.8
[M+H-H2O]+ 340.11198 173.1
[M+HCOO]- 402.11292 198.4
[M+CH3COO]- 416.12857 213.2
[M+Na-2H]- 378.08939 181.4
[M]+ 357.11417 184.5
[M]- 357.11527 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.