CID 2388831

16015-48-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C11H10N2O3/c1-2-13-10(14)8-6-4-3-5-7(8)9(12-13)11(15)16/h3-6H,2H2,1H3,(H,15,16)

InChIKey

FFEQVFZHBLPYNH-UHFFFAOYSA-N

Compound name

3-ethyl-4-oxophthalazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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	144.4
[M+Na]+	241.058358	154.9
[M-H]-	217.061864	145.7
[M+NH4]+	236.102963	160.9
[M+K]+	257.032298	151.4
[M+H-H2O]+	201.066400	137.2
[M+HCOO]-	263.067341	164.0
[M+CH3COO]-	277.082991	186.6
[M+Na-2H]-	239.043806	151.1
[M]+	218.06859142	146.5
[M]-	218.06968858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe