CID 689106

51334-85-1

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)

InChIKey

QBGWUKDMIGJTDU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 30
Patents: 236.09496 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]+	237.10224	152.6
[M+Na]+	259.08418	170.2
[M+NH4]+	254.12878	161.6
[M+K]+	275.05812	161.3
[M-H]-	235.08768	157.2
[M+Na-2H]-	257.06963	162.8
[M]+	236.09441	156.6
[M]-	236.09551	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe