CID 3076810

3-(4-chlorophenyl)-1-(4-methyl-2-pyridinyl)-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=CC(=NC=C1)N2C(=O)CC(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-10-6-7-18-14(8-10)19-15(20)9-13(16(19)21)11-2-4-12(17)5-3-11/h2-8,13H,9H2,1H3
InChIKey
UIXSKSXRKMFOBC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-(4-methylpyridin-2-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 167.4
[M+Na]+ 323.05578 183.4
[M+NH4]+ 318.10038 175.4
[M+K]+ 339.02972 176.9
[M-H]- 299.05928 172.1
[M+Na-2H]- 321.04123 175.9
[M]+ 300.06601 171.3
[M]- 300.06711 171.3
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.