CID 3050373

1-(m-methoxyphenyl)-4-(3-phenoxypropyl)piperazine

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2/c1-23-20-10-5-7-18(17-20)22-14-12-21(13-15-22)11-6-16-24-19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3

InChIKey

MPSURKFQWWLYES-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 326.19943 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]+	327.206706	180.5
[M+Na]+	349.188648	184.2
[M-H]-	325.192154	185.8
[M+NH4]+	344.233253	190.8
[M+K]+	365.162588	179.5
[M+H-H2O]+	309.196690	168.8
[M+HCOO]-	371.197631	197.4
[M+CH3COO]-	385.213281	208.5
[M+Na-2H]-	347.174096	183.3
[M]+	326.19888142	179.0
[M]-	326.19997858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe