CID 12332850

4-(4-methoxybenzyl)phthalazin-1(2h)-one

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)

InChIKey

CUGWYAVRVHQTNG-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 48
Patents: 266.10553 Da
Monoisotopic Mass: 2.6
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]+	267.11281	160.3
[M+Na]+	289.09475	169.9
[M-H]-	265.09825	164.2
[M+NH4]+	284.13935	174.4
[M+K]+	305.06869	164.0
[M+H-H2O]+	249.10279	151.0
[M+HCOO]-	311.10373	180.0
[M+CH3COO]-	325.11938	171.8
[M+Na-2H]-	287.08020	167.8
[M]+	266.10498	161.1
[M]-	266.10608	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe