CID 5081751

199930-03-5

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)O

InChI

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

InChIKey

AXZOCCIGISTCRN-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenyl)-2-methylphthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 252.08987 Da
Monoisotopic Mass: 2.5
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	156.1
[M+Na]+	275.07909	173.5
[M+NH4]+	270.12369	164.4
[M+K]+	291.05303	165.4
[M-H]-	251.08259	160.2
[M+Na-2H]-	273.06454	165.5
[M]+	252.08932	159.9
[M]-	252.09042	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe