CID 3076815

3-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=NC(=CC=C1)N2C(=O)CC(C2=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-10-4-2-7-14(18-10)19-15(20)9-13(16(19)21)11-5-3-6-12(17)8-11/h2-8,13H,9H2,1H3
InChIKey
RBGPTUWMJRJHTB-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-(6-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 167.8
[M+Na]+ 323.05578 178.5
[M-H]- 299.05928 175.5
[M+NH4]+ 318.10038 183.0
[M+K]+ 339.02972 172.0
[M+H-H2O]+ 283.06382 159.0
[M+HCOO]- 345.06476 184.1
[M+CH3COO]- 359.08041 179.9
[M+Na-2H]- 321.04123 168.1
[M]+ 300.06601 169.4
[M]- 300.06711 169.4
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.