CID 3040079

51659-94-0

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃

SMILES

CCCOC1=C(C=NN(C1=O)C)N2CCOCC2

InChI

InChI=1S/C12H19N3O3/c1-3-6-18-11-10(9-13-14(2)12(11)16)15-4-7-17-8-5-15/h9H,3-8H2,1-2H3

InChIKey

FTOCJMMRNZYPTP-UHFFFAOYSA-N

Compound name

2-methyl-5-morpholin-4-yl-4-propoxypyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 253.14264 Da
Monoisotopic Mass: 0.5
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]+	254.149916	159.0
[M+Na]+	276.131858	166.4
[M-H]-	252.135364	161.8
[M+NH4]+	271.176463	170.6
[M+K]+	292.105798	164.9
[M+H-H2O]+	236.139900	149.1
[M+HCOO]-	298.140841	175.4
[M+CH3COO]-	312.156491	194.2
[M+Na-2H]-	274.117306	163.4
[M]+	253.14209142	159.8
[M]-	253.14318858	159.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.