CID 11496342

2,6-bis(2-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-piperidin-4-one

Structural Information

Molecular Formula
C23H18Cl3NOS
SMILES
C1C(NC(C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H18Cl3NOS/c24-14-9-11-15(12-10-14)29-23-21(28)13-20(16-5-1-3-7-18(16)25)27-22(23)17-6-2-4-8-19(17)26/h1-12,20,22-23,27H,13H2
InChIKey
WWYUANRLJFQMDW-UHFFFAOYSA-N
Compound name
2,6-bis(2-chlorophenyl)-3-(4-chlorophenyl)sulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.01746 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.02474 201.0
[M+Na]+ 484.00668 209.4
[M-H]- 460.01018 208.6
[M+NH4]+ 479.05128 209.6
[M+K]+ 499.98062 199.6
[M+H-H2O]+ 444.01472 192.6
[M+HCOO]- 506.01566 198.7
[M+CH3COO]- 520.03131 208.2
[M+Na-2H]- 481.99213 197.2
[M]+ 461.01691 202.0
[M]- 461.01801 202.0
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

No patent data available for this compound.