CID 689103

57353-93-2

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)

InChIKey

RYLLTTFNKPGBNO-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-2H-phthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 252.08987 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]+	253.09715	156.0
[M+Na]+	275.07909	173.0
[M+NH4]+	270.12369	164.4
[M+K]+	291.05303	164.7
[M-H]-	251.08259	160.1
[M+Na-2H]-	273.06454	165.7
[M]+	252.08932	159.7
[M]-	252.09042	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe