CID 3056155

2,2'-dimorpholinyldicyclohexylsulfoxide

Structural Information

Molecular Formula
C20H36N2O3S
SMILES
C1CCC(C(C1)N2CCOCC2)S(=O)C3CCCCC3N4CCOCC4
InChI
InChI=1S/C20H36N2O3S/c23-26(19-7-3-1-5-17(19)21-9-13-24-14-10-21)20-8-4-2-6-18(20)22-11-15-25-16-12-22/h17-20H,1-16H2
InChIKey
NKCIULBVTARZOT-UHFFFAOYSA-N
Compound name
4-[2-(2-morpholin-4-ylcyclohexyl)sulfinylcyclohexyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.24466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.251936 192.8
[M+Na]+ 407.233878 189.3
[M-H]- 383.237384 199.3
[M+NH4]+ 402.278483 197.4
[M+K]+ 423.207818 188.1
[M+H-H2O]+ 367.241920 181.6
[M+HCOO]- 429.242861 191.5
[M+CH3COO]- 443.258511 196.8
[M+Na-2H]- 405.219326 186.9
[M]+ 384.24411142 179.9
[M]- 384.24520858 179.9
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

patents stripe