CID 511618

5-cyclohexyl-3-cyclopropyl-1,3,5-thiadiazinane-2-thione

Structural Information

Molecular Formula
C12H20N2S2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3CC3
InChI
InChI=1S/C12H20N2S2/c15-12-14(11-6-7-11)8-13(9-16-12)10-4-2-1-3-5-10/h10-11H,1-9H2
InChIKey
HPGJWTHWCZSLDY-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-cyclopropyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11406 153.4
[M+Na]+ 279.09600 159.1
[M-H]- 255.09950 158.7
[M+NH4]+ 274.14060 163.4
[M+K]+ 295.06994 154.2
[M+H-H2O]+ 239.10404 145.2
[M+HCOO]- 301.10498 158.5
[M+CH3COO]- 315.12063 162.2
[M+Na-2H]- 277.08145 150.9
[M]+ 256.10623 148.9
[M]- 256.10733 148.9
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.