CID 2849828

Methyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₃

SMILES

CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H14ClNO3/c1-8-13(14(18)19-2)11(7-12(17)16-8)9-3-5-10(15)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17)

InChIKey

XVNWDTDHEJPJAP-UHFFFAOYSA-N

Compound name

methyl 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: 17
Patents: 279.06622 Da
Monoisotopic Mass: 2.0
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]+	280.073496	159.7
[M+Na]+	302.055438	168.6
[M-H]-	278.058944	164.0
[M+NH4]+	297.100043	174.9
[M+K]+	318.029378	163.4
[M+H-H2O]+	262.063480	153.1
[M+HCOO]-	324.064421	173.9
[M+CH3COO]-	338.080071	196.0
[M+Na-2H]-	300.040886	161.1
[M]+	279.06567142	160.6
[M]-	279.06676858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe