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: 1
Patents: 293.08188 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.089156	164.3
[M+Na]+	316.071098	172.7
[M-H]-	292.074604	168.4
[M+NH4]+	311.115703	179.0
[M+K]+	332.045038	167.4
[M+H-H2O]+	276.079140	157.5
[M+HCOO]-	338.080081	178.2
[M+CH3COO]-	352.095731	199.0
[M+Na-2H]-	314.056546	165.1
[M]+	293.08133142	165.6
[M]-	293.08242858	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe