CID 3075132

Dipiperidinyldicyclohexylsulfide

Structural Information

Molecular Formula
C22H40N2S
SMILES
C1CCN(CC1)C2CCCCC2SC3CCCCC3N4CCCCC4
InChI
InChI=1S/C22H40N2S/c1-7-15-23(16-8-1)19-11-3-5-13-21(19)25-22-14-6-4-12-20(22)24-17-9-2-10-18-24/h19-22H,1-18H2
InChIKey
LBFKHDVCWOQSNF-UHFFFAOYSA-N
Compound name
1-[2-(2-piperidin-1-ylcyclohexyl)sulfanylcyclohexyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29123 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29851 192.0
[M+Na]+ 387.28045 187.6
[M-H]- 363.28395 196.6
[M+NH4]+ 382.32505 200.2
[M+K]+ 403.25439 182.3
[M+H-H2O]+ 347.28849 180.0
[M+HCOO]- 409.28943 191.7
[M+CH3COO]- 423.30508 195.4
[M+Na-2H]- 385.26590 184.5
[M]+ 364.29068 175.6
[M]- 364.29178 175.6
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.