CID 32848

1-(2-morpholinoethyl)-4-phenyl-4-piperidyl phenyl ketone dihydrochloride

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₂

SMILES

C1CN(CCC1C2=CC=C(C=C2)CCN3CCOCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O2/c27-24(23-4-2-1-3-5-23)26-14-11-22(12-15-26)21-8-6-20(7-9-21)10-13-25-16-18-28-19-17-25/h1-9,22H,10-19H2

InChIKey

YXNRMZQDFKXXMY-UHFFFAOYSA-N

Compound name

[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.23074 Da
Monoisotopic Mass: 3.5
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]+	379.238016	195.4
[M+Na]+	401.219958	195.7
[M-H]-	377.223464	203.0
[M+NH4]+	396.264563	201.1
[M+K]+	417.193898	191.1
[M+H-H2O]+	361.228000	182.2
[M+HCOO]-	423.228941	206.0
[M+CH3COO]-	437.244591	201.4
[M+Na-2H]-	399.205406	194.5
[M]+	378.23019142	187.3
[M]-	378.23128858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.