CID 11654822

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

Structural Information

Molecular Formula
C23H19Cl2NOS
SMILES
C1C(NC(C(C1=O)SC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19Cl2NOS/c24-17-10-6-15(7-11-17)20-14-21(27)23(28-19-4-2-1-3-5-19)22(26-20)16-8-12-18(25)13-9-16/h1-13,20,22-23,26H,14H2
InChIKey
AVGFJIIBNWYHMD-UHFFFAOYSA-N
Compound name
2,6-bis(4-chlorophenyl)-3-phenylsulfanylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.05643 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.06371 196.7
[M+Na]+ 450.04565 204.6
[M-H]- 426.04915 205.4
[M+NH4]+ 445.09025 206.2
[M+K]+ 466.01959 194.6
[M+H-H2O]+ 410.05369 187.7
[M+HCOO]- 472.05463 199.6
[M+CH3COO]- 486.07028 204.7
[M+Na-2H]- 448.03110 194.5
[M]+ 427.05588 196.8
[M]- 427.05698 196.8
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.