CID 4304110

Ethyl (4-{[(ethoxycarbonyl)amino]carbothioyl}-1-piperazinyl)carbothioylcarbamate

Structural Information

Molecular Formula
C12H20N4O4S2
SMILES
CCOC(=O)NC(=S)N1CCN(CC1)C(=S)NC(=O)OCC
InChI
InChI=1S/C12H20N4O4S2/c1-3-19-11(17)13-9(21)15-5-7-16(8-6-15)10(22)14-12(18)20-4-2/h3-8H2,1-2H3,(H,13,17,21)(H,14,18,22)
InChIKey
RVACUTVPYHMXBK-UHFFFAOYSA-N
Compound name
ethyl N-[4-(ethoxycarbonylcarbamothioyl)piperazine-1-carbothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0926 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09988 177.5
[M+Na]+ 371.08182 179.3
[M-H]- 347.08532 176.3
[M+NH4]+ 366.12642 187.5
[M+K]+ 387.05576 175.9
[M+H-H2O]+ 331.08986 169.6
[M+HCOO]- 393.09080 182.6
[M+CH3COO]- 407.10645 209.3
[M+Na-2H]- 369.06727 174.0
[M]+ 348.09205 176.8
[M]- 348.09315 176.8
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.