CID 11619116

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

Structural Information

Molecular Formula
C24H21Cl2NOS
SMILES
CC1=CC=C(C=C1)SC2C(NC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21Cl2NOS/c1-15-2-12-20(13-3-15)29-24-22(28)14-21(16-4-8-18(25)9-5-16)27-23(24)17-6-10-19(26)11-7-17/h2-13,21,23-24,27H,14H2,1H3
InChIKey
QQHMRDUTUGSUGF-UHFFFAOYSA-N
Compound name
2,6-bis(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.07208 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.07936 201.2
[M+Na]+ 464.06130 209.4
[M-H]- 440.06480 210.0
[M+NH4]+ 459.10590 210.4
[M+K]+ 480.03524 199.3
[M+H-H2O]+ 424.06934 192.1
[M+HCOO]- 486.07028 203.7
[M+CH3COO]- 500.08593 209.1
[M+Na-2H]- 462.04675 197.7
[M]+ 441.07153 202.0
[M]- 441.07263 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.