CID 2440048

571155-01-6

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-7(2)14-11(15)9-6-4-3-5-8(9)10(13-14)12(16)17/h3-7H,1-2H3,(H,16,17)

InChIKey

HIMMXXFRGQLXGJ-UHFFFAOYSA-N

Compound name

4-oxo-3-propan-2-ylphthalazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 232.0848 Da
Monoisotopic Mass: 1.6
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]+	233.09208	149.5
[M+Na]+	255.07402	162.9
[M+NH4]+	250.11862	156.0
[M+K]+	271.04796	158.0
[M-H]-	231.07752	149.5
[M+Na-2H]-	253.05947	154.5
[M]+	232.08425	151.2
[M]-	232.08535	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.