CID 39900

N-ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane

Structural Information

Molecular Formula
C14H28N2O2S2
SMILES
CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C
InChI
InChI=1S/C14H28N2O2S2/c1-6-16(14(18)20-10-12(4)5)8-7-15-13(17)19-9-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKey
PCNVGFGGUCULPT-UHFFFAOYSA-N
Compound name
S-(2-methylpropyl) N-ethyl-N-[2-(2-methylpropylsulfanylcarbonylamino)ethyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16648 177.8
[M+Na]+ 343.14842 181.4
[M+NH4]+ 338.19302 183.2
[M+K]+ 359.12236 174.6
[M-H]- 319.15192 176.6
[M+Na-2H]- 341.13387 176.7
[M]+ 320.15865 178.3
[M]- 320.15975 178.3
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.