CID 3073159

146824-89-7

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

COC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)OC)OC

InChI

InChI=1S/C13H14N2O4/c1-17-11-5-4-9(8-12(11)18-2)15-7-6-10(16)13(14-15)19-3/h4-8H,1-3H3

InChIKey

VEBAFICDNOSQEK-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-3-methoxypyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.09537 Da
Monoisotopic Mass: 1.9
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]+	263.102646	155.9
[M+Na]+	285.084588	166.5
[M-H]-	261.088094	161.0
[M+NH4]+	280.129193	170.3
[M+K]+	301.058528	164.2
[M+H-H2O]+	245.092630	146.8
[M+HCOO]-	307.093571	178.8
[M+CH3COO]-	321.109221	196.6
[M+Na-2H]-	283.070036	161.7
[M]+	262.09482142	162.1
[M]-	262.09591858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe