CID 5275468

2,3-bis(5-cyclohexyl-2-thioxo-1,3,5-thiadiazinan-3-yl)-n,n-dimethyl-propanamide

Structural Information

Molecular Formula
C23H39N5OS4
SMILES
CN(C)C(=O)C(CN1CN(CSC1=S)C2CCCCC2)N3CN(CSC3=S)C4CCCCC4
InChI
InChI=1S/C23H39N5OS4/c1-24(2)21(29)20(28-15-27(17-33-23(28)31)19-11-7-4-8-12-19)13-25-14-26(16-32-22(25)30)18-9-5-3-6-10-18/h18-20H,3-17H2,1-2H3
InChIKey
PNPRLWCSPZMZIG-UHFFFAOYSA-N
Compound name
2,3-bis(5-cyclohexyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

529.20374 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.21102 208.5
[M+Na]+ 552.19296 205.7
[M-H]- 528.19646 208.6
[M+NH4]+ 547.23756 208.8
[M+K]+ 568.16690 196.6
[M+H-H2O]+ 512.20100 200.6
[M+HCOO]- 574.20194 191.9
[M+CH3COO]- 588.21759 208.1
[M+Na-2H]- 550.17841 202.3
[M]+ 529.20319 194.3
[M]- 529.20429 194.3
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.