CID 15959118

Chembl207325

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₃

SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H20N2O3/c1-4-21-19(22)15-8-6-5-7-14(15)16(20-21)11-13-9-10-17(23-2)18(12-13)24-3/h5-10,12H,4,11H2,1-3H3

InChIKey

DYIYBSGPWFNAHB-UHFFFAOYSA-N

Compound name

4-[(3,4-dimethoxyphenyl)methyl]-2-ethylphthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 324.1474 Da
Monoisotopic Mass: 3.1
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]+	325.154676	177.6
[M+Na]+	347.136618	187.8
[M-H]-	323.140124	183.0
[M+NH4]+	342.181223	190.4
[M+K]+	363.110558	182.9
[M+H-H2O]+	307.144660	167.3
[M+HCOO]-	369.145601	197.8
[M+CH3COO]-	383.161251	211.3
[M+Na-2H]-	345.122066	182.3
[M]+	324.14685142	183.3
[M]-	324.14794858	183.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.