CID 3039849

1-propanone, 3-(4-morpholinyl)-1-(3-(phenylmethoxy)phenyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1COCCN1CCC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3/c22-20(9-10-21-11-13-23-14-12-21)18-7-4-8-19(15-18)24-16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2

InChIKey

SYUCQSHSICSBFC-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1-(3-phenylmethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 2.7
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]+	326.175076	178.4
[M+Na]+	348.157018	181.3
[M-H]-	324.160524	185.6
[M+NH4]+	343.201623	188.3
[M+K]+	364.130958	178.4
[M+H-H2O]+	308.165060	167.7
[M+HCOO]-	370.166001	195.2
[M+CH3COO]-	384.181651	206.9
[M+Na-2H]-	346.142466	181.4
[M]+	325.16725142	176.7
[M]-	325.16834858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.