CID 14154

3-phenyl-5-(2-morpholinoethyl)isoxazole hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

C1COCCN1CCC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N2O2/c1-2-4-13(5-3-1)15-12-14(19-16-15)6-7-17-8-10-18-11-9-17/h1-5,12H,6-11H2

InChIKey

MGTNGJBAIPLUKG-UHFFFAOYSA-N

Compound name

4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.13684 Da
Monoisotopic Mass: 2.0
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]+	259.144116	158.9
[M+Na]+	281.126058	164.3
[M-H]-	257.129564	166.2
[M+NH4]+	276.170663	171.2
[M+K]+	297.099998	163.0
[M+H-H2O]+	241.134100	149.3
[M+HCOO]-	303.135041	176.6
[M+CH3COO]-	317.150691	170.0
[M+Na-2H]-	279.111506	163.3
[M]+	258.13629142	157.5
[M]-	258.13738858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe