CID 210770

21602-58-4

Structural Information

Molecular Formula
C16H23NO2S
SMILES
C1CCN(CC1)C2(CCS(=O)(=O)CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H23NO2S/c18-20(19)13-9-16(10-14-20,15-7-3-1-4-8-15)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-14H2
InChIKey
ZXEXRVJVWOSFEK-UHFFFAOYSA-N
Compound name
4-phenyl-4-piperidin-1-ylthiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15224 167.0
[M+Na]+ 316.13418 178.8
[M+NH4]+ 311.17878 178.8
[M+K]+ 332.10812 165.5
[M-H]- 292.13768 172.4
[M+Na-2H]- 314.11963 177.8
[M]+ 293.14441 171.0
[M]- 293.14551 171.0
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.