CID 3032715

19657-27-3

Structural Information

Molecular Formula
C10H16N2O4S4
SMILES
CCOC(=O)SC(=S)NCCNC(=S)SC(=O)OCC
InChI
InChI=1S/C10H16N2O4S4/c1-3-15-9(13)19-7(17)11-5-6-12-8(18)20-10(14)16-4-2/h3-6H2,1-2H3,(H,11,17)(H,12,18)
InChIKey
GAEADZPCZCQRKA-UHFFFAOYSA-N
Compound name
ethyl 2-(ethoxycarbonylsulfanylcarbothioylamino)ethylcarbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.9993 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.00658 178.6
[M+Na]+ 378.98852 179.7
[M-H]- 354.99202 174.4
[M+NH4]+ 374.03312 189.1
[M+K]+ 394.96246 171.0
[M+H-H2O]+ 338.99656 170.2
[M+HCOO]- 400.99750 175.3
[M+CH3COO]- 415.01315 210.4
[M+Na-2H]- 376.97397 175.9
[M]+ 355.99875 178.0
[M]- 355.99985 178.0
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.