CID 155536846

Chembl4474173

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Cl)N3CCCCC3
InChI
InChI=1S/C15H15ClN2O2/c1-9-5-6-10-12(17-9)15(20)11(16)13(14(10)19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3
InChIKey
ZJFUXUCLSXWCDH-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-6-piperidin-1-ylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0822 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 165.5
[M+Na]+ 313.07142 174.8
[M-H]- 289.07492 170.0
[M+NH4]+ 308.11602 180.4
[M+K]+ 329.04536 168.8
[M+H-H2O]+ 273.07946 156.9
[M+HCOO]- 335.08040 176.9
[M+CH3COO]- 349.09605 176.3
[M+Na-2H]- 311.05687 167.9
[M]+ 290.08165 164.4
[M]- 290.08275 164.4
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

No patent data available for this compound.