CID 3070012

2-propanone, 1,1-diphenyl-1-ethoxy-3-piperidino-, hydrobromide

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CN3CCCCC3

InChI

InChI=1S/C22H27NO2/c1-2-25-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21(24)18-23-16-10-5-11-17-23/h3-4,6-9,12-15H,2,5,10-11,16-18H2,1H3

InChIKey

QRHRUWRDUXXSRW-UHFFFAOYSA-N

Compound name

1-ethoxy-1,1-diphenyl-3-piperidin-1-ylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 Da
Monoisotopic Mass: 4.3
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]+	338.211476	183.5
[M+Na]+	360.193418	184.9
[M-H]-	336.196924	189.5
[M+NH4]+	355.238023	194.0
[M+K]+	376.167358	180.4
[M+H-H2O]+	320.201460	173.0
[M+HCOO]-	382.202401	198.7
[M+CH3COO]-	396.218051	210.0
[M+Na-2H]-	358.178866	186.3
[M]+	337.20365142	179.6
[M]-	337.20474858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.