CID 3056789

Propiophenone, 4'-(2-morpholinoethoxy)-3-piperidino-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₃

SMILES

C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)OCCN3CCOCC3

InChI

InChI=1S/C20H30N2O3/c23-20(8-11-21-9-2-1-3-10-21)18-4-6-19(7-5-18)25-17-14-22-12-15-24-16-13-22/h4-7H,1-3,8-17H2

InChIKey

MAAGLVKUBHKUOW-UHFFFAOYSA-N

Compound name

1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.22565 Da
Monoisotopic Mass: 2.1
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]+	347.232926	186.2
[M+Na]+	369.214868	185.9
[M-H]-	345.218374	190.6
[M+NH4]+	364.259473	193.6
[M+K]+	385.188808	183.4
[M+H-H2O]+	329.222910	174.3
[M+HCOO]-	391.223851	197.2
[M+CH3COO]-	405.239501	210.7
[M+Na-2H]-	367.200316	186.1
[M]+	346.22510142	180.8
[M]-	346.22619858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.