CID 11589272

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

Structural Information

Molecular Formula
C23H20ClNOS
SMILES
C1C(NC(C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20ClNOS/c24-18-11-13-19(14-12-18)27-23-21(26)15-20(16-7-3-1-4-8-16)25-22(23)17-9-5-2-6-10-17/h1-14,20,22-23,25H,15H2
InChIKey
VAQXJXMNWGLKQQ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.0954 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.10268 191.6
[M+Na]+ 416.08462 198.4
[M-H]- 392.08812 200.6
[M+NH4]+ 411.12922 201.6
[M+K]+ 432.05856 188.8
[M+H-H2O]+ 376.09266 181.8
[M+HCOO]- 438.09360 199.4
[M+CH3COO]- 452.10925 200.0
[M+Na-2H]- 414.07007 190.6
[M]+ 393.09485 189.7
[M]- 393.09595 189.7
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.