CID 3076757

Imidazolidinetrione, (2-(2,3-dioxo-1-piperazinyl)ethyl)phenyl-

Structural Information

Molecular Formula
C15H14N4O5
SMILES
C1CN(C(=O)C(=O)N1)CCN2C(=O)C(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4O5/c20-11-12(21)17(7-6-16-11)8-9-18-13(22)14(23)19(15(18)24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,20)
InChIKey
URUZEKFORFIVBU-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dioxopiperazin-1-yl)ethyl]-3-phenylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0964 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 175.9
[M+Na]+ 353.08562 183.8
[M-H]- 329.08912 179.2
[M+NH4]+ 348.13022 184.8
[M+K]+ 369.05956 178.6
[M+H-H2O]+ 313.09366 165.7
[M+HCOO]- 375.09460 189.6
[M+CH3COO]- 389.11025 205.7
[M+Na-2H]- 351.07107 173.4
[M]+ 330.09585 172.5
[M]- 330.09695 172.5
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.