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

1
Patents

298.15375 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.161026 167.5
[M+Na]+ 321.142968 168.8
[M-H]- 297.146474 171.0
[M+NH4]+ 316.187573 179.9
[M+K]+ 337.116908 163.3
[M+H-H2O]+ 281.151010 158.9
[M+HCOO]- 343.151951 167.8
[M+CH3COO]- 357.167601 174.2
[M+Na-2H]- 319.128416 162.8
[M]+ 298.15320142 156.4
[M]- 298.15429858 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