CID 11654401

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

Structural Information

Molecular Formula
C24H22ClNOS
SMILES
CN1C(CC(=O)C(C1C2=CC=CC=C2)SC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H22ClNOS/c1-26-21(17-8-4-2-5-9-17)16-22(27)24(23(26)18-10-6-3-7-11-18)28-20-14-12-19(25)13-15-20/h2-15,21,23-24H,16H2,1H3
InChIKey
HYXFKODFINMESL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-1-methyl-2,6-diphenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.11105 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11833 196.9
[M+Na]+ 430.10027 204.5
[M-H]- 406.10377 207.4
[M+NH4]+ 425.14487 207.2
[M+K]+ 446.07421 195.6
[M+H-H2O]+ 390.10831 186.5
[M+HCOO]- 452.10925 205.7
[M+CH3COO]- 466.12490 205.7
[M+Na-2H]- 428.08572 194.8
[M]+ 407.11050 197.4
[M]- 407.11160 197.4
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.