CID 5124035

1-(3-dibenzofuryl)-3-(4-(2-methoxyphenyl)piperazino)-1-propanone

Structural Information

Molecular Formula

C₂₆H₂₆N₂O₃

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C26H26N2O3/c1-30-26-9-5-3-7-22(26)28-16-14-27(15-17-28)13-12-23(29)19-10-11-25-21(18-19)20-6-2-4-8-24(20)31-25/h2-11,18H,12-17H2,1H3

InChIKey

CDZUHAREOQMHRR-UHFFFAOYSA-N

Compound name

1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.19434 Da
Monoisotopic Mass: 4.9
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]+	415.201616	201.7
[M+Na]+	437.183558	207.8
[M-H]-	413.187064	210.3
[M+NH4]+	432.228163	210.7
[M+K]+	453.157498	202.4
[M+H-H2O]+	397.191600	189.9
[M+HCOO]-	459.192541	216.2
[M+CH3COO]-	473.208191	209.9
[M+Na-2H]-	435.169006	202.5
[M]+	414.19379142	203.0
[M]-	414.19488858	203.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.