CID 157722

Karetazan

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₃

SMILES

CCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)O)C

InChI

InChI=1S/C15H14ClNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20)

InChIKey

GQFJDWYHPRLNHR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1615
Patents: 291.06622 Da
Monoisotopic Mass: 3.6
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]+	292.073496	161.0
[M+Na]+	314.055438	172.3
[M-H]-	290.058944	166.2
[M+NH4]+	309.100043	176.1
[M+K]+	330.029378	166.6
[M+H-H2O]+	274.063480	154.3
[M+HCOO]-	336.064421	177.7
[M+CH3COO]-	350.080071	200.3
[M+Na-2H]-	312.040886	163.1
[M]+	291.06567142	165.6
[M]-	291.06676858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe