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

92218
Patents

357.11472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.121996 182.5
[M+Na]+ 380.103938 188.8
[M-H]- 356.107444 189.6
[M+NH4]+ 375.148543 194.2
[M+K]+ 396.077878 183.8
[M+H-H2O]+ 340.111980 173.1
[M+HCOO]- 402.112921 198.4
[M+CH3COO]- 416.128571 213.2
[M+Na-2H]- 378.089386 181.4
[M]+ 357.11417142 184.5
[M]- 357.11526858 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

literature stripe

Patent stripe

patents stripe