CID 206337

Brn 0849476

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

CCC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O3/c1-2-22(26)18-7-6-10-21(15-18)27-17-20(25)16-23-11-13-24(14-12-23)19-8-4-3-5-9-19/h3-10,15,20,25H,2,11-14,16-17H2,1H3

InChIKey

WXCOWVPFIYVDMR-UHFFFAOYSA-N

Compound name

1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.21 Da
Monoisotopic Mass: 3.1
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]+	369.217276	190.8
[M+Na]+	391.199218	192.7
[M-H]-	367.202724	194.6
[M+NH4]+	386.243823	198.3
[M+K]+	407.173158	187.9
[M+H-H2O]+	351.207260	179.4
[M+HCOO]-	413.208201	203.9
[M+CH3COO]-	427.223851	215.0
[M+Na-2H]-	389.184666	190.0
[M]+	368.20945142	187.7
[M]-	368.21054858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.