CID 15959085

Chembl377068

Structural Information

Molecular Formula

C₂₀H₁₆N₂O

SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O/c1-22-20(23)18-12-5-4-11-17(18)19(21-22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3

InChIKey

OEOLMNOARSKKPH-UHFFFAOYSA-N

Compound name

2-methyl-4-(naphthalen-1-ylmethyl)phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 300.12625 Da
Monoisotopic Mass: 4.0
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]+	301.133526	171.5
[M+Na]+	323.115468	182.9
[M-H]-	299.118974	177.9
[M+NH4]+	318.160073	185.9
[M+K]+	339.089408	175.4
[M+H-H2O]+	283.123510	160.8
[M+HCOO]-	345.124451	191.9
[M+CH3COO]-	359.140101	183.2
[M+Na-2H]-	321.100916	180.2
[M]+	300.12570142	174.2
[M]-	300.12679858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.