CID 745851

389126-76-5

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C17H14N2O3/c1-22-15(20)11-19-17(21)14-10-6-5-9-13(14)16(18-19)12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey

QEVVWQMLRGPHMT-UHFFFAOYSA-N

Compound name

methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 294.10043 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]+	295.107706	166.7
[M+Na]+	317.089648	176.1
[M-H]-	293.093154	172.0
[M+NH4]+	312.134253	180.1
[M+K]+	333.063588	171.5
[M+H-H2O]+	277.097690	156.8
[M+HCOO]-	339.098631	186.9
[M+CH3COO]-	353.114281	202.4
[M+Na-2H]-	315.075096	173.0
[M]+	294.09988142	169.7
[M]-	294.10097858	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.