CID 146069

89703-08-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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

literature stripe

Patent stripe

patents stripe