CID 90119

23482-39-5

Structural Information

Molecular Formula

C₁₇H₂₈N₂O

SMILES

CCN(CC)CCOC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H28N2O/c1-3-19(4-2)14-15-20-17(10-12-18-13-11-17)16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3

InChIKey

AJWDNBGJSDKTMC-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(4-phenylpiperidin-4-yl)oxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.22015 Da
Monoisotopic Mass: 2.3
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]+	277.227426	169.3
[M+Na]+	299.209368	171.2
[M-H]-	275.212874	172.7
[M+NH4]+	294.253973	184.9
[M+K]+	315.183308	168.4
[M+H-H2O]+	259.217410	160.4
[M+HCOO]-	321.218351	187.3
[M+CH3COO]-	335.234001	201.9
[M+Na-2H]-	297.194816	173.0
[M]+	276.21960142	166.0
[M]-	276.22069858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe