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 207.4
[M+Na]+ 487.09842 213.9
[M-H]- 463.10192 214.6
[M+NH4]+ 482.14302 217.8
[M+K]+ 503.07236 205.5
[M+H-H2O]+ 447.10646 198.4
[M+HCOO]- 509.10740 207.3
[M+CH3COO]- 523.12305 214.1
[M+Na-2H]- 485.08387 201.8
[M]+ 464.10865 207.6
[M]- 464.10975 207.6
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.