CID 3076813

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

Structural Information

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

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No literature data available for this compound.

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No patent data available for this compound.