CID 4962430

1-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
C1=CSC(=C1)CCN2C(=O)C(=O)NC2=O
InChI
InChI=1S/C9H8N2O3S/c12-7-8(13)11(9(14)10-7)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H,10,12,14)
InChIKey
IDYWZSYRNZHKBR-UHFFFAOYSA-N
Compound name
1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02556 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.032836 147.9
[M+Na]+ 247.014778 158.0
[M-H]- 223.018284 151.8
[M+NH4]+ 242.059383 167.2
[M+K]+ 262.988718 154.4
[M+H-H2O]+ 207.022820 142.0
[M+HCOO]- 269.023761 164.8
[M+CH3COO]- 283.039411 181.7
[M+Na-2H]- 245.000226 145.8
[M]+ 224.02501142 149.1
[M]- 224.02610858 149.1
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.