CID 3045801

2,5-pyrrolidinedione, 1-((4-nitrophenyl)amino)-

Structural Information

Molecular Formula
C10H9N3O4
SMILES
C1CC(=O)N(C1=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O4/c14-9-5-6-10(15)12(9)11-7-1-3-8(4-2-7)13(16)17/h1-4,11H,5-6H2
InChIKey
UEWQIWDTVFMZSB-UHFFFAOYSA-N
Compound name
1-(4-nitroanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05931 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.066586 146.8
[M+Na]+ 258.048528 153.4
[M-H]- 234.052034 152.6
[M+NH4]+ 253.093133 163.5
[M+K]+ 274.022468 147.0
[M+H-H2O]+ 218.056570 143.8
[M+HCOO]- 280.057511 171.9
[M+CH3COO]- 294.073161 185.0
[M+Na-2H]- 256.033976 152.8
[M]+ 235.05876142 143.3
[M]- 235.05985858 143.3
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.