CID 211677

23515-32-4

Structural Information

Molecular Formula
C15H18Cl2N2S2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2S2/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
SNWVKBCDIFVUJZ-UHFFFAOYSA-N
Compound name
5-cyclohexyl-3-(3,4-dichlorophenyl)-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.02884 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03612 174.6
[M+Na]+ 383.01806 181.0
[M-H]- 359.02156 179.5
[M+NH4]+ 378.06266 186.6
[M+K]+ 398.99200 173.0
[M+H-H2O]+ 343.02610 167.6
[M+HCOO]- 405.02704 169.5
[M+CH3COO]- 419.04269 182.4
[M+Na-2H]- 381.00351 170.4
[M]+ 360.02829 171.1
[M]- 360.02939 171.1
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.