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 168.0
[M+Na]+ 316.13418 172.4
[M-H]- 292.13768 174.7
[M+NH4]+ 311.17878 185.3
[M+K]+ 332.10812 168.5
[M+H-H2O]+ 276.14222 159.4
[M+HCOO]- 338.14316 179.0
[M+CH3COO]- 352.15881 177.5
[M+Na-2H]- 314.11963 170.4
[M]+ 293.14441 162.1
[M]- 293.14551 162.1
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.