CID 46188

Brn 0851299

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₄

SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H28N2O4/c1-17(25)18-6-5-7-20(14-18)28-16-19(26)15-23-10-12-24(13-11-23)21-8-3-4-9-22(21)27-2/h3-9,14,19,26H,10-13,15-16H2,1-2H3

InChIKey

DRPFIPXZBMWJTH-UHFFFAOYSA-N

Compound name

1-[3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.2049 Da
Monoisotopic Mass: 2.6
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]+	385.212176	193.7
[M+Na]+	407.194118	196.3
[M-H]-	383.197624	197.9
[M+NH4]+	402.238723	200.8
[M+K]+	423.168058	192.4
[M+H-H2O]+	367.202160	182.3
[M+HCOO]-	429.203101	206.9
[M+CH3COO]-	443.218751	218.4
[M+Na-2H]-	405.179566	192.3
[M]+	384.20435142	192.5
[M]-	384.20544858	192.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.