CID 120549

1044-18-4

Structural Information

Molecular Formula

C₂₁H₂₂N₂

SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2/c1-2-10-20(11-3-1)23-15-13-22(14-16-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12H,13-17H2

InChIKey

VNQAHNFMWPAXAO-UHFFFAOYSA-N

Compound name

1-(naphthalen-1-ylmethyl)-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.17828 Da
Monoisotopic Mass: 4.6
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]+	303.185556	174.0
[M+Na]+	325.167498	178.9
[M-H]-	301.171004	180.1
[M+NH4]+	320.212103	186.1
[M+K]+	341.141438	171.8
[M+H-H2O]+	285.175540	162.2
[M+HCOO]-	347.176481	189.8
[M+CH3COO]-	361.192131	183.0
[M+Na-2H]-	323.152946	179.1
[M]+	302.17773142	168.5
[M]-	302.17882858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.