CID 10429242

Mitoglitazone

Structural Information

Molecular Formula
C19H18N2O4S
SMILES
CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)
InChIKey
IRNJSRAGRIZIHD-UHFFFAOYSA-N
Compound name
5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

863
Patents

370.09872 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10600 186.8
[M+Na]+ 393.08794 198.5
[M+NH4]+ 388.13254 192.4
[M+K]+ 409.06188 192.2
[M-H]- 369.09144 189.6
[M+Na-2H]- 391.07339 192.2
[M]+ 370.09817 189.5
[M]- 370.09927 189.5
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