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]+ 236.06659 146.8
[M+Na]+ 258.04853 153.4
[M-H]- 234.05203 152.6
[M+NH4]+ 253.09313 163.5
[M+K]+ 274.02247 147.0
[M+H-H2O]+ 218.05657 143.8
[M+HCOO]- 280.05751 171.9
[M+CH3COO]- 294.07316 185.0
[M+Na-2H]- 256.03398 152.8
[M]+ 235.05876 143.3
[M]- 235.05986 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.