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]+ 262.082226 155.1
[M+Na]+ 284.064168 163.7
[M-H]- 260.067674 159.9
[M+NH4]+ 279.108773 170.6
[M+K]+ 300.038108 160.9
[M+H-H2O]+ 244.072210 147.1
[M+HCOO]- 306.073151 177.0
[M+CH3COO]- 320.088801 197.0
[M+Na-2H]- 282.049616 156.4
[M]+ 261.07440142 155.5
[M]- 261.07549858 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.