CID 245552

6941-96-4

Structural Information

Molecular Formula

C₁₅H₁₂N₂O

SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC=C3

InChI

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

InChIKey

GUVJWGAVZJXYTJ-UHFFFAOYSA-N

Compound name

4-methyl-2-phenylphthalazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 9
Patents: 236.09496 Da
Monoisotopic Mass: 2.8
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	152.1
[M+Na]+	259.08418	162.8
[M-H]-	235.08768	157.6
[M+NH4]+	254.12878	168.3
[M+K]+	275.05812	157.3
[M+H-H2O]+	219.09222	142.9
[M+HCOO]-	281.09316	173.5
[M+CH3COO]-	295.10881	165.0
[M+Na-2H]-	257.06963	160.6
[M]+	236.09441	153.0
[M]-	236.09551	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe