CID 11569142

2,6-bis(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1-methyl-piperidin-4-one

Structural Information

Molecular Formula
C24H20Cl3NOS
SMILES
CN1C(CC(=O)C(C1C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20Cl3NOS/c1-28-21(15-2-6-17(25)7-3-15)14-22(29)24(30-20-12-10-19(27)11-13-20)23(28)16-4-8-18(26)9-5-16/h2-13,21,23-24H,14H2,1H3
InChIKey
BNWCZGYGSCRPHU-UHFFFAOYSA-N
Compound name
2,6-bis(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.0331 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.04038 206.5
[M+Na]+ 498.02232 215.6
[M-H]- 474.02582 215.4
[M+NH4]+ 493.06692 215.4
[M+K]+ 513.99626 206.5
[M+H-H2O]+ 458.03036 197.4
[M+HCOO]- 520.03130 205.1
[M+CH3COO]- 534.04695 214.1
[M+Na-2H]- 496.00777 201.7
[M]+ 475.03255 209.8
[M]- 475.03365 209.8
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

No patent data available for this compound.