CID 5275465

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

Structural Information

Molecular Formula
C15H27N5OS4
SMILES
CCN1CN(C(=S)SC1)CC(C(=O)N(C)C)N2CN(CSC2=S)CC
InChI
InChI=1S/C15H27N5OS4/c1-5-17-8-19(14(22)24-10-17)7-12(13(21)16(3)4)20-9-18(6-2)11-25-15(20)23/h12H,5-11H2,1-4H3
InChIKey
GWLQZCSFGPJBSF-UHFFFAOYSA-N
Compound name
2,3-bis(5-ethyl-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

421.10983 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11711 186.1
[M+Na]+ 444.09905 188.8
[M-H]- 420.10255 183.9
[M+NH4]+ 439.14365 191.4
[M+K]+ 460.07299 179.6
[M+H-H2O]+ 404.10709 178.9
[M+HCOO]- 466.10803 175.0
[M+CH3COO]- 480.12368 228.2
[M+Na-2H]- 442.08450 180.6
[M]+ 421.10928 180.1
[M]- 421.11038 180.1
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.