CID 475798

1,3-diethyl-2-thioxo-imidazolidine-4,5-dione

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCN1C(=O)C(=O)N(C1=S)CC
InChI
InChI=1S/C7H10N2O2S/c1-3-8-5(10)6(11)9(4-2)7(8)12/h3-4H2,1-2H3
InChIKey
MOEDOELICMKCAC-UHFFFAOYSA-N
Compound name
1,3-diethyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

186.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 137.5
[M+Na]+ 209.03552 148.3
[M-H]- 185.03902 139.3
[M+NH4]+ 204.08012 157.8
[M+K]+ 225.00946 145.7
[M+H-H2O]+ 169.04356 132.0
[M+HCOO]- 231.04450 153.6
[M+CH3COO]- 245.06015 181.4
[M+Na-2H]- 207.02097 136.2
[M]+ 186.04575 140.1
[M]- 186.04685 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.