CID 3075459

182188-91-6

Structural Information

Molecular Formula
C23H26Cl2N2O2S
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCN3C(SCC3=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H26Cl2N2O2S/c24-19-6-2-17(3-7-19)22-27(21(28)16-30-22)13-1-12-26-14-10-23(29,11-15-26)18-4-8-20(25)9-5-18/h2-9,22,29H,1,10-16H2
InChIKey
FCFPNGVXEPCAGS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1092 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11648 207.1
[M+Na]+ 487.09842 221.3
[M+NH4]+ 482.14302 216.5
[M+K]+ 503.07236 209.5
[M-H]- 463.10192 213.4
[M+Na-2H]- 485.08387 215.7
[M]+ 464.10865 212.1
[M]- 464.10975 212.1
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.