CID 511615

5-cyclohexyl-3-(2-furyl)-1,3,5-thiadiazinane-2-thione

Structural Information

Molecular Formula
C13H18N2OS2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3=CC=CO3
InChI
InChI=1S/C13H18N2OS2/c17-13-15(12-7-4-8-16-12)9-14(10-18-13)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKey
DQMYKKCPCWUTBP-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-(furan-2-yl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08606 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09334 161.4
[M+Na]+ 305.07528 167.4
[M-H]- 281.07878 167.9
[M+NH4]+ 300.11988 175.8
[M+K]+ 321.04922 163.6
[M+H-H2O]+ 265.08332 154.4
[M+HCOO]- 327.08426 167.3
[M+CH3COO]- 341.09991 171.3
[M+Na-2H]- 303.06073 158.2
[M]+ 282.08551 156.8
[M]- 282.08661 156.8
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.