CID 3052565

2,2'-dipiperidinyldicyclohexylsulfoxide

Structural Information

Molecular Formula
C22H40N2OS
SMILES
C1CCN(CC1)C2CCCCC2S(=O)C3CCCCC3N4CCCCC4
InChI
InChI=1S/C22H40N2OS/c25-26(21-13-5-3-11-19(21)23-15-7-1-8-16-23)22-14-6-4-12-20(22)24-17-9-2-10-18-24/h19-22H,1-18H2
InChIKey
TZFLHPPJFQWASQ-UHFFFAOYSA-N
Compound name
1-[2-(2-piperidin-1-ylcyclohexyl)sulfinylcyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.28613 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29341 194.7
[M+Na]+ 403.27535 190.1
[M-H]- 379.27885 199.4
[M+NH4]+ 398.31995 202.1
[M+K]+ 419.24929 185.3
[M+H-H2O]+ 363.28339 183.1
[M+HCOO]- 425.28433 193.8
[M+CH3COO]- 439.29998 197.9
[M+Na-2H]- 401.26080 186.5
[M]+ 380.28558 178.5
[M]- 380.28668 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.