CID 52368

Carbamic acid, ethylenebis((2-cyanoethyl)dithio-, disodium salt

Structural Information

Molecular Formula
C10H14N4S4
SMILES
C(CN(CCN(CCC#N)C(=S)S)C(=S)S)C#N
InChI
InChI=1S/C10H14N4S4/c11-3-1-5-13(9(15)16)7-8-14(10(17)18)6-2-4-12/h1-2,5-8H2,(H,15,16)(H,17,18)
InChIKey
PPWXTGNZGXFQQZ-UHFFFAOYSA-N
Compound name
2-cyanoethyl-[2-[2-cyanoethyl(dithiocarboxy)amino]ethyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.01013 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01741 156.3
[M+Na]+ 340.99935 159.8
[M+NH4]+ 336.04395 157.1
[M+K]+ 356.97329 149.9
[M-H]- 317.00285 147.5
[M+Na-2H]- 338.98480 154.3
[M]+ 318.00958 154.0
[M]- 318.01068 154.0
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.