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]+ 223.08257 147.6
[M+Na]+ 245.06451 156.9
[M-H]- 221.06801 148.4
[M+NH4]+ 240.10911 163.2
[M+K]+ 261.03845 153.8
[M+H-H2O]+ 205.07255 139.1
[M+HCOO]- 267.07349 166.6
[M+CH3COO]- 281.08914 183.9
[M+Na-2H]- 243.04996 148.2
[M]+ 222.07474 147.1
[M]- 222.07584 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.