CID 211559

4-(m-fluorophenyl)-2-(2-morpholinoethyl)-6-phenyl-3(2h)-pyridazinone

Structural Information

Molecular Formula

C₂₂H₂₂FN₃O₂

SMILES

C1COCCN1CCN2C(=O)C(=C(C=N2)C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H22FN3O2/c23-19-8-4-7-18(15-19)21-20(17-5-2-1-3-6-17)16-24-26(22(21)27)10-9-25-11-13-28-14-12-25/h1-8,15-16H,9-14H2

InChIKey

VWAAUHLNJPQXOB-UHFFFAOYSA-N

Compound name

4-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-5-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.16962 Da
Monoisotopic Mass: 2.5
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]+	380.176896	194.1
[M+Na]+	402.158838	200.6
[M-H]-	378.162344	201.1
[M+NH4]+	397.203443	199.2
[M+K]+	418.132778	194.2
[M+H-H2O]+	362.166880	179.5
[M+HCOO]-	424.167821	208.0
[M+CH3COO]-	438.183471	201.9
[M+Na-2H]-	400.144286	196.0
[M]+	379.16907142	190.5
[M]-	379.17016858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.