CID 16643

Brn 0815608

Structural Information

Molecular Formula
C12H11N3O4
SMILES
CN1C(=O)C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H11N3O4/c1-14-10(17)11(18)15(12(14)19)7-9(16)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,16)
InChIKey
DXPRVCRLOGQIJD-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08223 155.1
[M+Na]+ 284.06417 163.7
[M-H]- 260.06767 159.9
[M+NH4]+ 279.10877 170.6
[M+K]+ 300.03811 160.9
[M+H-H2O]+ 244.07221 147.1
[M+HCOO]- 306.07315 177.0
[M+CH3COO]- 320.08880 197.0
[M+Na-2H]- 282.04962 156.4
[M]+ 261.07440 155.5
[M]- 261.07550 155.5
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.