CID 50598

Dimethylcarbamyl diethylthiocarbamyl sulfide

Structural Information

Molecular Formula
C8H16N2OS2
SMILES
CCN(CC)C(=S)SC(=O)N(C)C
InChI
InChI=1S/C8H16N2OS2/c1-5-10(6-2)8(12)13-7(11)9(3)4/h5-6H2,1-4H3
InChIKey
QOLYDISDVWIKFN-UHFFFAOYSA-N
Compound name
S-(diethylcarbamothioyl) N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0704 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07768 149.5
[M+Na]+ 243.05962 154.2
[M-H]- 219.06312 151.9
[M+NH4]+ 238.10422 168.9
[M+K]+ 259.03356 153.2
[M+H-H2O]+ 203.06766 142.5
[M+HCOO]- 265.06860 161.9
[M+CH3COO]- 279.08425 197.5
[M+Na-2H]- 241.04507 147.1
[M]+ 220.06985 153.3
[M]- 220.07095 153.3
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.