CID 5193835

329700-15-4

Structural Information

Molecular Formula
C15H16ClNO3
SMILES
CCOC(=O)C1=C(NC(=O)CC1C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C15H16ClNO3/c1-3-20-15(19)14-9(2)17-13(18)8-12(14)10-4-6-11(16)7-5-10/h4-7,12H,3,8H2,1-2H3,(H,17,18)
InChIKey
DQGFSUNCSJBMIO-UHFFFAOYSA-N
Compound name
ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08188 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08916 164.3
[M+Na]+ 316.07110 172.7
[M-H]- 292.07460 168.4
[M+NH4]+ 311.11570 179.0
[M+K]+ 332.04504 167.4
[M+H-H2O]+ 276.07914 157.5
[M+HCOO]- 338.08008 178.2
[M+CH3COO]- 352.09573 199.0
[M+Na-2H]- 314.05655 165.1
[M]+ 293.08133 165.6
[M]- 293.08243 165.6
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.