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]+ 326.157296 177.1
[M+Na]+ 348.139238 179.5
[M-H]- 324.142744 183.5
[M+NH4]+ 343.183843 189.0
[M+K]+ 364.113178 174.1
[M+H-H2O]+ 308.147280 167.4
[M+HCOO]- 370.148221 188.7
[M+CH3COO]- 384.163871 185.4
[M+Na-2H]- 346.124686 176.7
[M]+ 325.14947142 173.5
[M]- 325.15056858 173.5
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.