CID 3077091

Brn 4263735

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

CC(=O)NC1=CC2=C(C=C1)OCC3C2=NNC(=O)C3

InChI

InChI=1S/C13H13N3O3/c1-7(17)14-9-2-3-11-10(5-9)13-8(6-19-11)4-12(18)15-16-13/h2-3,5,8H,4,6H2,1H3,(H,14,17)(H,15,18)

InChIKey

ZFAWGPAAZREJSW-UHFFFAOYSA-N

Compound name

N-(3-oxo-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-9-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.0957 Da
Monoisotopic Mass: -0.1
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]+	260.102976	156.4
[M+Na]+	282.084918	163.5
[M-H]-	258.088424	158.0
[M+NH4]+	277.129523	170.1
[M+K]+	298.058858	160.4
[M+H-H2O]+	242.092960	148.0
[M+HCOO]-	304.093901	170.8
[M+CH3COO]-	318.109551	166.7
[M+Na-2H]-	280.070366	163.3
[M]+	259.09515142	153.5
[M]-	259.09624858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.