CID 3056150

2,2'-dimorpholinyldicyclohexylsulfide

Structural Information

Molecular Formula
C20H36N2O2S
SMILES
C1CCC(C(C1)N2CCOCC2)SC3CCCCC3N4CCOCC4
InChI
InChI=1S/C20H36N2O2S/c1-3-7-19(17(5-1)21-9-13-23-14-10-21)25-20-8-4-2-6-18(20)22-11-15-24-16-12-22/h17-20H,1-16H2
InChIKey
RIGRCORVXCSONT-UHFFFAOYSA-N
Compound name
4-[2-(2-morpholin-4-ylcyclohexyl)sulfanylcyclohexyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25704 190.2
[M+Na]+ 391.23898 187.0
[M-H]- 367.24248 196.7
[M+NH4]+ 386.28358 195.8
[M+K]+ 407.21292 185.2
[M+H-H2O]+ 351.24702 178.8
[M+HCOO]- 413.24796 189.6
[M+CH3COO]- 427.26361 194.5
[M+Na-2H]- 389.22443 185.0
[M]+ 368.24921 177.1
[M]- 368.25031 177.1
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.