CID 3490010

477328-87-3

Structural Information

Molecular Formula

C₂₄H₂₆N₂O₂

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18H,12-17H2,1H3

InChIKey

NGIYYMMYYSHHCL-UHFFFAOYSA-N

Compound name

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 374.19943 Da
Monoisotopic Mass: 4.4
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]+	375.206706	193.3
[M+Na]+	397.188648	197.3
[M-H]-	373.192154	199.3
[M+NH4]+	392.233253	202.3
[M+K]+	413.162588	191.0
[M+H-H2O]+	357.196690	180.8
[M+HCOO]-	419.197631	207.4
[M+CH3COO]-	433.213281	200.8
[M+Na-2H]-	395.174096	194.9
[M]+	374.19888142	190.6
[M]-	374.19997858	190.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.