CID 98793

3,5-dicyclohexyl-3,4,5,6-tetrahydro-2h-1,3,5-thiadiazine-2-thione

Structural Information

Molecular Formula
C15H26N2S2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3CCCCC3
InChI
InChI=1S/C15H26N2S2/c18-15-17(14-9-5-2-6-10-14)11-16(12-19-15)13-7-3-1-4-8-13/h13-14H,1-12H2
InChIKey
MBFNDMOUZATEDW-UHFFFAOYSA-N
Compound name
3,5-dicyclohexyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

298.15375 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16103 167.5
[M+Na]+ 321.14297 168.8
[M-H]- 297.14647 171.0
[M+NH4]+ 316.18757 179.9
[M+K]+ 337.11691 163.3
[M+H-H2O]+ 281.15101 158.9
[M+HCOO]- 343.15195 167.8
[M+CH3COO]- 357.16760 174.2
[M+Na-2H]- 319.12842 162.8
[M]+ 298.15320 156.4
[M]- 298.15430 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe