CID 3001053

Nsc14560

Structural Information

Molecular Formula
C8H14N4S8
SMILES
CNC(=S)SSC(=S)NCCNC(=S)SSC(=S)NC
InChI
InChI=1S/C8H14N4S8/c1-9-5(13)17-19-7(15)11-3-4-12-8(16)20-18-6(14)10-2/h3-4H2,1-2H3,(H,9,13)(H,10,14)(H,11,15)(H,12,16)
InChIKey
LOCURLLIZHFKJU-UHFFFAOYSA-N
Compound name
2-[(methylcarbamothioyldisulfanyl)carbothioylamino]ethylcarbamothioylsulfanyl N-methylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.8984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.90568 224.7
[M+Na]+ 444.88762 223.2
[M-H]- 420.89112 211.8
[M+NH4]+ 439.93222 225.8
[M+K]+ 460.86156 199.5
[M+H-H2O]+ 404.89566 212.9
[M+HCOO]- 466.89660 198.5
[M+CH3COO]- 480.91225 228.6
[M+Na-2H]- 442.87307 226.9
[M]+ 421.89785 198.7
[M]- 421.89895 198.7
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.