CID 2119877

Methyl 3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-13-10(14)8-6-4-3-5-7(8)9(12-13)11(15)16-2/h3-6H,1-2H3

InChIKey

JFNYSDRMWGVSIC-UHFFFAOYSA-N

Compound name

methyl 3-methyl-4-oxophthalazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 218.06914 Da
Monoisotopic Mass: 1.2
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]+	219.076416	143.9
[M+Na]+	241.058358	154.9
[M-H]-	217.061864	146.6
[M+NH4]+	236.102963	161.2
[M+K]+	257.032298	152.3
[M+H-H2O]+	201.066400	136.4
[M+HCOO]-	263.067341	165.0
[M+CH3COO]-	277.082991	188.4
[M+Na-2H]-	239.043806	151.1
[M]+	218.06859142	147.7
[M]-	218.06968858	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.