CID 212586

24588-99-6

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2OC3=CC=CC=C3)O

InChI

InChI=1S/C20H25NO3/c22-17(15-21-13-7-2-8-14-21)16-23-19-11-5-6-12-20(19)24-18-9-3-1-4-10-18/h1,3-6,9-12,17,22H,2,7-8,13-16H2

InChIKey

SPRUYOOXLFTCOU-UHFFFAOYSA-N

Compound name

1-(2-phenoxyphenoxy)-3-piperidin-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.18344 Da
Monoisotopic Mass: 3.7
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]+	328.190716	178.8
[M+Na]+	350.172658	180.6
[M-H]-	326.176164	183.8
[M+NH4]+	345.217263	189.2
[M+K]+	366.146598	176.5
[M+H-H2O]+	310.180700	168.2
[M+HCOO]-	372.181641	194.7
[M+CH3COO]-	386.197291	205.1
[M+Na-2H]-	348.158106	180.7
[M]+	327.18289142	175.4
[M]-	327.18398858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.