CID 3062941

Piperidine, 1-(3-(p-chlorophenyl)-3-(phenylthio)propyl)-, hydrochloride

Structural Information

Molecular Formula
C20H24ClNS
SMILES
C1CCN(CC1)CCC(C2=CC=C(C=C2)Cl)SC3=CC=CC=C3
InChI
InChI=1S/C20H24ClNS/c21-18-11-9-17(10-12-18)20(23-19-7-3-1-4-8-19)13-16-22-14-5-2-6-15-22/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKey
CQZOHVWEMVFGRA-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-phenylsulfanylpropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1318 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13908 179.7
[M+Na]+ 368.12102 183.8
[M-H]- 344.12452 186.2
[M+NH4]+ 363.16562 192.2
[M+K]+ 384.09496 176.4
[M+H-H2O]+ 328.12906 170.6
[M+HCOO]- 390.13000 187.4
[M+CH3COO]- 404.14565 188.2
[M+Na-2H]- 366.10647 179.1
[M]+ 345.13125 178.6
[M]- 345.13235 178.6
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.