CID 5492996

1(2h)-phthalazinone, 8-hydroxy-4-methyl-2-phenyl-

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CC1=NN(C(=O)C2=C1C=CC=C2O)C3=CC=CC=C3

InChI

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

InChIKey

BCIHFONELMEYDB-UHFFFAOYSA-N

Compound name

8-hydroxy-4-methyl-2-phenylphthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 3.0
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]+	253.097146	156.1
[M+Na]+	275.079088	167.1
[M-H]-	251.082594	160.7
[M+NH4]+	270.123693	171.1
[M+K]+	291.053028	161.4
[M+H-H2O]+	235.087130	147.2
[M+HCOO]-	297.088071	176.2
[M+CH3COO]-	311.103721	168.4
[M+Na-2H]-	273.064536	163.4
[M]+	252.08932142	157.0
[M]-	252.09041858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.