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 178.6
[M+Na]+ 343.14842 179.7
[M-H]- 319.15192 178.3
[M+NH4]+ 338.19302 193.1
[M+K]+ 359.12236 177.4
[M+H-H2O]+ 303.15646 170.7
[M+HCOO]- 365.15740 186.9
[M+CH3COO]- 379.17305 215.1
[M+Na-2H]- 341.13387 172.5
[M]+ 320.15865 183.5
[M]- 320.15975 183.5
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.