CID 211681

23515-37-9

Structural Information

Molecular Formula
C15H18BrClN2S2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3=CC(=C(C=C3)Br)Cl
InChI
InChI=1S/C15H18BrClN2S2/c16-13-7-6-12(8-14(13)17)19-9-18(10-21-15(19)20)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2
InChIKey
LPKNDFTXFNYIHD-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.97833 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.98561 163.0
[M+Na]+ 426.96755 173.4
[M-H]- 402.97105 171.3
[M+NH4]+ 422.01215 177.5
[M+K]+ 442.94149 158.2
[M+H-H2O]+ 386.97559 163.3
[M+HCOO]- 448.97653 162.4
[M+CH3COO]- 462.99218 174.2
[M+Na-2H]- 424.95300 163.0
[M]+ 403.97778 177.8
[M]- 403.97888 177.8
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

No patent data available for this compound.