CID 3069151

Brn 0821493

Structural Information

Molecular Formula

C₂₃H₂₆N₂O

SMILES

C1CN(CCN1CCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O/c1-2-10-21(11-3-1)25-17-15-24(16-18-25)14-7-19-26-23-13-6-9-20-8-4-5-12-22(20)23/h1-6,8-13H,7,14-19H2

InChIKey

WVPPXJDJXUTXFI-UHFFFAOYSA-N

Compound name

1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 346.2045 Da
Monoisotopic Mass: 5.1
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]+	347.211776	186.1
[M+Na]+	369.193718	189.8
[M-H]-	345.197224	191.8
[M+NH4]+	364.238323	196.2
[M+K]+	385.167658	183.0
[M+H-H2O]+	329.201760	173.5
[M+HCOO]-	391.202701	201.3
[M+CH3COO]-	405.218351	193.9
[M+Na-2H]-	367.179166	190.0
[M]+	346.20395142	182.5
[M]-	346.20504858	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe