CID 3062951

99507-53-6

Structural Information

Molecular Formula
C20H22ClNOS
SMILES
C1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)Cl)SC3=CC=CC=C3
InChI
InChI=1S/C20H22ClNOS/c21-17-11-9-16(10-12-17)19(24-18-7-3-1-4-8-18)15-20(23)22-13-5-2-6-14-22/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKey
RXYUWKFAAXICIY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11105 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11833 182.3
[M+Na]+ 382.10027 196.6
[M+NH4]+ 377.14487 191.7
[M+K]+ 398.07421 185.3
[M-H]- 358.10377 188.8
[M+Na-2H]- 380.08572 191.7
[M]+ 359.11050 187.1
[M]- 359.11160 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.