CID 11102552

2h-1,3,5-thiadiazine-2-thione, 3,3'-(1,2-ethanediyl)bis[5-cyclohexyltetrahydro-

Structural Information

Molecular Formula
C20H34N4S4
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)CCN3CN(CSC3=S)C4CCCCC4
InChI
InChI=1S/C20H34N4S4/c25-19-21(13-23(15-27-19)17-7-3-1-4-8-17)11-12-22-14-24(16-28-20(22)26)18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKey
UVUDAEJEVYWKPA-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-[2-(5-cyclohexyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.16663 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.17391 195.3
[M+Na]+ 481.15585 195.8
[M-H]- 457.15935 195.3
[M+NH4]+ 476.20045 198.7
[M+K]+ 497.12979 185.2
[M+H-H2O]+ 441.16389 187.5
[M+HCOO]- 503.16483 180.5
[M+CH3COO]- 517.18048 196.6
[M+Na-2H]- 479.14130 188.8
[M]+ 458.16608 179.9
[M]- 458.16718 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

No patent data available for this compound.