CID 2750

Ciglitazone

Structural Information

Molecular Formula
C18H23NO3S
SMILES
CC1(CCCCC1)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
InChIKey
YZFWTZACSRHJQD-UHFFFAOYSA-N
Compound name
5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

511
References

19001
Patents

333.13986 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14714 178.9
[M+Na]+ 356.12908 188.8
[M+NH4]+ 351.17368 187.8
[M+K]+ 372.10302 179.9
[M-H]- 332.13258 182.7
[M+Na-2H]- 354.11453 185.2
[M]+ 333.13931 181.8
[M]- 333.14041 181.8
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