CID 43153871

1-[3-(1h-imidazol-1-yl)propyl]imidazolidine-2,4,5-trione hydrochloride

Structural Information

Molecular Formula
C9H10N4O3
SMILES
C1=CN(C=N1)CCCN2C(=O)C(=O)NC2=O
InChI
InChI=1S/C9H10N4O3/c14-7-8(15)13(9(16)11-7)4-1-3-12-5-2-10-6-12/h2,5-6H,1,3-4H2,(H,11,14,16)
InChIKey
YKBQPIGRBZYFKI-UHFFFAOYSA-N
Compound name
1-(3-imidazol-1-ylpropyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.082566 147.6
[M+Na]+ 245.064508 156.9
[M-H]- 221.068014 148.4
[M+NH4]+ 240.109113 163.2
[M+K]+ 261.038448 153.8
[M+H-H2O]+ 205.072550 139.1
[M+HCOO]- 267.073491 166.6
[M+CH3COO]- 281.089141 183.9
[M+Na-2H]- 243.049956 148.2
[M]+ 222.07474142 147.1
[M]- 222.07583858 147.1
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.