CID 3057329

Brn 1005188

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

CCOC1=C(C=NN(C1=O)CC=C)N2CCOCC2

InChI

InChI=1S/C13H19N3O3/c1-3-5-16-13(17)12(19-4-2)11(10-14-16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3

InChIKey

AHYFGTCIFTWAQU-UHFFFAOYSA-N

Compound name

4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.14264 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]+	266.149916	162.3
[M+Na]+	288.131858	169.5
[M-H]-	264.135364	164.9
[M+NH4]+	283.176463	173.3
[M+K]+	304.105798	167.1
[M+H-H2O]+	248.139900	152.2
[M+HCOO]-	310.140841	178.5
[M+CH3COO]-	324.156491	196.5
[M+Na-2H]-	286.117306	166.1
[M]+	265.14209142	162.8
[M]-	265.14318858	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.