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]+ 273.086976 158.7
[M+Na]+ 295.068918 167.4
[M-H]- 271.072424 166.6
[M+NH4]+ 290.113523 175.5
[M+K]+ 311.042858 163.9
[M+H-H2O]+ 255.076960 151.0
[M+HCOO]- 317.077901 179.1
[M+CH3COO]- 331.093551 195.8
[M+Na-2H]- 293.054366 156.5
[M]+ 272.07915142 157.0
[M]- 272.08024858 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.