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]+ 189.03284 139.4
[M+Na]+ 211.01478 147.6
[M-H]- 187.01828 137.9
[M+NH4]+ 206.05938 157.4
[M+K]+ 226.98872 144.4
[M+H-H2O]+ 171.02282 133.8
[M+HCOO]- 233.02376 152.1
[M+CH3COO]- 247.03941 173.2
[M+Na-2H]- 209.00023 137.9
[M]+ 188.02501 137.9
[M]- 188.02611 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.