CID 3053148

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

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)16-14(20)8-11(15(16)21)17-12(18)6-7-13(17)19/h2-5,11H,6-8H2,1H3
InChIKey
ABUSPYGGWCEMJK-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 166.0
[M+Na]+ 309.08459 176.9
[M+NH4]+ 304.12919 171.8
[M+K]+ 325.05853 175.6
[M-H]- 285.08809 168.0
[M+Na-2H]- 307.07004 169.8
[M]+ 286.09482 167.7
[M]- 286.09592 167.7
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.