CID 3045802

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

Structural Information

Molecular Formula
C10H8N4O6
SMILES
C1CC(=O)N(C1=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O6/c15-9-3-4-10(16)12(9)11-7-2-1-6(13(17)18)5-8(7)14(19)20/h1-2,5,11H,3-4H2
InChIKey
KIJSMTYHXCSAJM-UHFFFAOYSA-N
Compound name
1-(2,4-dinitroanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04437 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05165 157.4
[M+Na]+ 303.03359 162.4
[M-H]- 279.03709 163.2
[M+NH4]+ 298.07819 170.6
[M+K]+ 319.00753 152.3
[M+H-H2O]+ 263.04163 158.4
[M+HCOO]- 325.04257 182.2
[M+CH3COO]- 339.05822 188.5
[M+Na-2H]- 301.01904 164.9
[M]+ 280.04382 152.3
[M]- 280.04492 152.3
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.