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]+ 331.103676 175.9
[M+Na]+ 353.085618 183.8
[M-H]- 329.089124 179.2
[M+NH4]+ 348.130223 184.8
[M+K]+ 369.059558 178.6
[M+H-H2O]+ 313.093660 165.7
[M+HCOO]- 375.094601 189.6
[M+CH3COO]- 389.110251 205.7
[M+Na-2H]- 351.071066 173.4
[M]+ 330.09585142 172.5
[M]- 330.09694858 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.