CID 648952

Ethyl 5-cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

CCOC(=O)C1=NN(C(=O)C(=C1C)C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O3/c1-3-21-15(20)13-10(2)12(9-16)14(19)18(17-13)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3

InChIKey

PEPXEKVWZCZSGF-UHFFFAOYSA-N

Compound name

ethyl 5-cyano-4-methyl-6-oxo-1-phenylpyridazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 283.0957 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]+	284.102976	163.2
[M+Na]+	306.084918	174.3
[M-H]-	282.088424	166.2
[M+NH4]+	301.129523	174.7
[M+K]+	322.058858	169.9
[M+H-H2O]+	266.092960	147.4
[M+HCOO]-	328.093901	180.6
[M+CH3COO]-	342.109551	211.2
[M+Na-2H]-	304.070366	166.0
[M]+	283.09515142	161.2
[M]-	283.09624858	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe