CID 3076806

132458-97-0

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1C(C(=O)N(C1=O)C2=CN=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-11-5-3-10(4-6-11)13-8-14(19)18(15(13)20)12-2-1-7-17-9-12/h1-7,9,13H,8H2
InChIKey
XVWYLDOZOVAJSE-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-pyridin-3-ylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 163.3
[M+Na]+ 309.040118 173.5
[M-H]- 285.043624 170.8
[M+NH4]+ 304.084723 178.8
[M+K]+ 325.014058 167.2
[M+H-H2O]+ 269.048160 154.4
[M+HCOO]- 331.049101 180.0
[M+CH3COO]- 345.064751 175.5
[M+Na-2H]- 307.025566 164.9
[M]+ 286.05035142 164.1
[M]- 286.05144858 164.1
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.