CID 2366687

16015-57-9

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C11H11N3O2/c1-2-14-11(16)8-6-4-3-5-7(8)9(13-14)10(12)15/h3-6H,2H2,1H3,(H2,12,15)

InChIKey

RACANTUOSGCCHS-UHFFFAOYSA-N

Compound name

3-ethyl-4-oxophthalazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.08513 Da
Monoisotopic Mass: 0.6
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]+	218.09241	145.9
[M+Na]+	240.07435	156.0
[M-H]-	216.07785	148.0
[M+NH4]+	235.11895	162.6
[M+K]+	256.04829	152.4
[M+H-H2O]+	200.08239	138.2
[M+HCOO]-	262.08333	167.2
[M+CH3COO]-	276.09898	191.3
[M+Na-2H]-	238.05980	152.4
[M]+	217.08458	146.6
[M]-	217.08568	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe