CID 3076808

132458-99-2

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC1=C(N=CC=C1)N2C(=O)CC(C2=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-10-4-3-7-18-15(10)19-14(20)9-13(16(19)21)11-5-2-6-12(17)8-11/h2-8,13H,9H2,1H3
InChIKey
XOWZLAXUKRKNRV-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)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]+ 301.073836 167.8
[M+Na]+ 323.055778 178.5
[M-H]- 299.059284 175.5
[M+NH4]+ 318.100383 183.0
[M+K]+ 339.029718 172.0
[M+H-H2O]+ 283.063820 159.0
[M+HCOO]- 345.064761 184.1
[M+CH3COO]- 359.080411 179.9
[M+Na-2H]- 321.041226 168.1
[M]+ 300.06601142 169.4
[M]- 300.06710858 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.