CID 3050372

66307-58-2

Structural Information

Molecular Formula

C₁₉H₂₄N₂O

SMILES

C1CN(CCN1CCCOC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2

InChIKey

XHIUHIDIRNZTAW-UHFFFAOYSA-N

Compound name

1-(3-phenoxypropyl)-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 296.18887 Da
Monoisotopic Mass: 3.9
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]+	297.19615	174.4
[M+Na]+	319.17809	189.0
[M+NH4]+	314.22269	183.0
[M+K]+	335.15203	179.3
[M-H]-	295.18159	180.4
[M+Na-2H]-	317.16354	184.6
[M]+	296.18832	178.3
[M]-	296.18942	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe