CID 220802

Nsc4108

Structural Information

Molecular Formula
C20H40N4S8Se
SMILES
CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC
InChI
InChI=1S/C20H40N4S8Se/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3
InChIKey
VNYKETBBOXBLET-UHFFFAOYSA-N
Compound name
[tris(diethylcarbamothioylsulfanyl)-lambda4-selanyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

672.0184 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.02568 272.9
[M+Na]+ 695.00762 266.6
[M-H]- 671.01112 261.8
[M+NH4]+ 690.05222 270.1
[M+K]+ 710.98156 246.0
[M+H-H2O]+ 655.01566 258.3
[M+HCOO]- 717.01660 243.9
[M+CH3COO]- 731.03225 262.3
[M+Na-2H]- 692.99307 273.1
[M]+ 672.01785 253.0
[M]- 672.01895 253.0
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.