CID 3053140

1'-(4-nitrophenyl)-(1,3'-bipyrrolidine)-2,2',5,5'-tetrone

Structural Information

Molecular Formula
C14H11N3O6
SMILES
C1CC(=O)N(C1=O)C2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O6/c18-11-5-6-12(19)16(11)10-7-13(20)15(14(10)21)8-1-3-9(4-2-8)17(22)23/h1-4,10H,5-7H2
InChIKey
IDFVERICOJNDSW-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0648 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07208 168.6
[M+Na]+ 340.05402 175.6
[M-H]- 316.05752 176.9
[M+NH4]+ 335.09862 182.4
[M+K]+ 356.02796 168.6
[M+H-H2O]+ 300.06206 165.3
[M+HCOO]- 362.06300 189.7
[M+CH3COO]- 376.07865 198.2
[M+Na-2H]- 338.03947 168.9
[M]+ 317.06425 165.5
[M]- 317.06535 165.5
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.