CID 211670

23515-23-3

Structural Information

Molecular Formula
C15H19ClN2S2
SMILES
C1CCC(CC1)N2CN(C(=S)SC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H19ClN2S2/c16-12-5-4-8-14(9-12)18-10-17(11-20-15(18)19)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11H2
InChIKey
KZKBVROVYLUPHW-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07508 169.3
[M+Na]+ 349.05702 175.1
[M-H]- 325.06052 174.5
[M+NH4]+ 344.10162 182.1
[M+K]+ 365.03096 167.5
[M+H-H2O]+ 309.06506 161.6
[M+HCOO]- 371.06600 169.2
[M+CH3COO]- 385.08165 177.7
[M+Na-2H]- 347.04247 166.4
[M]+ 326.06725 164.5
[M]- 326.06835 164.5
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.