CID 3055321

72278-79-6

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

CC(CN1CCN(CC1)C(=O)C)C2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C20H26N2O2/c1-15(14-21-8-10-22(11-9-21)16(2)23)17-4-5-19-13-20(24-3)7-6-18(19)12-17/h4-7,12-13,15H,8-11,14H2,1-3H3

InChIKey

ILVONXFDHYBVMK-UHFFFAOYSA-N

Compound name

1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.19943 Da
Monoisotopic Mass: 3.0
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]+	327.206706	181.0
[M+Na]+	349.188648	185.6
[M-H]-	325.192154	184.6
[M+NH4]+	344.233253	192.9
[M+K]+	365.162588	181.3
[M+H-H2O]+	309.196690	170.9
[M+HCOO]-	371.197631	194.5
[M+CH3COO]-	385.213281	211.8
[M+Na-2H]-	347.174096	181.5
[M]+	326.19888142	179.4
[M]-	326.19997858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.