CID 120285

1-propanone, 1-(2,5-diphenyl-3-furyl)-3-(4-methyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₄H₂₆N₂O₂

SMILES

CN1CCN(CC1)CCC(=O)C2=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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

InChIKey

VNIDIGYLNPOEGT-UHFFFAOYSA-N

Compound name

1-(2,5-diphenylfuran-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.19943 Da
Monoisotopic Mass: 3.8
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	192.8
[M+Na]+	397.188648	197.0
[M-H]-	373.192154	202.4
[M+NH4]+	392.233253	201.3
[M+K]+	413.162588	192.0
[M+H-H2O]+	357.196690	181.1
[M+HCOO]-	419.197631	208.6
[M+CH3COO]-	433.213281	201.2
[M+Na-2H]-	395.174096	191.2
[M]+	374.19888142	190.5
[M]-	374.19997858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.