CID 64921

99507-54-7

Structural Information

Molecular Formula
C20H23NOS
SMILES
C1CCN(CC1)C(=O)CC(C2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H23NOS/c22-20(21-14-8-3-9-15-21)16-19(17-10-4-1-5-11-17)23-18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey
GXTABIWPRLPCQH-UHFFFAOYSA-N
Compound name
3-phenyl-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15730 175.7
[M+Na]+ 348.13924 188.8
[M+NH4]+ 343.18384 184.8
[M+K]+ 364.11318 178.2
[M-H]- 324.14274 182.1
[M+Na-2H]- 346.12469 185.3
[M]+ 325.14947 179.9
[M]- 325.15057 179.9
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.