CID 3221

Emorfazone

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₃

SMILES

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

InChI

InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3

InChIKey

URJQOOISAKEBKW-UHFFFAOYSA-N

Compound name

4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 31
References: 6993
Patents: 239.127 Da
Monoisotopic Mass: 0.0
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]+	240.134276	154.5
[M+Na]+	262.116218	162.3
[M-H]-	238.119724	157.5
[M+NH4]+	257.160823	166.7
[M+K]+	278.090158	161.0
[M+H-H2O]+	222.124260	144.8
[M+HCOO]-	284.125201	171.3
[M+CH3COO]-	298.140851	191.2
[M+Na-2H]-	260.101666	159.4
[M]+	239.12645142	155.0
[M]-	239.12754858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe