CID 50583

1'-phenyl(1,3'-bipyrrolidine)-2,2',5,5'-tetrone

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1CC(=O)N(C1=O)C2CC(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2O4/c17-11-6-7-12(18)16(11)10-8-13(19)15(14(10)20)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
KFKWZAQLRGNACJ-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.7
[M+Na]+ 295.06892 167.4
[M-H]- 271.07242 166.6
[M+NH4]+ 290.11352 175.5
[M+K]+ 311.04286 163.9
[M+H-H2O]+ 255.07696 151.0
[M+HCOO]- 317.07790 179.1
[M+CH3COO]- 331.09355 195.8
[M+Na-2H]- 293.05437 156.5
[M]+ 272.07915 157.0
[M]- 272.08025 157.0
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.