CID 480022

S-ethyl 2,5-dioxoimidazolidine-4-carbothioate

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
CCSC(=O)C1C(=O)NC(=O)N1
InChI
InChI=1S/C6H8N2O3S/c1-2-12-5(10)3-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11)
InChIKey
YBOCXJIMDHSZHG-UHFFFAOYSA-N
Compound name
S-ethyl 2,5-dioxoimidazolidine-4-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02556 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.032836 139.4
[M+Na]+ 211.014778 147.6
[M-H]- 187.018284 137.9
[M+NH4]+ 206.059383 157.4
[M+K]+ 226.988718 144.4
[M+H-H2O]+ 171.022820 133.8
[M+HCOO]- 233.023761 152.1
[M+CH3COO]- 247.039411 173.2
[M+Na-2H]- 209.000226 137.9
[M]+ 188.02501142 137.9
[M]- 188.02610858 137.9
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.