CID 210448

Propiophenone, 4'-methoxy-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₃

SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-19(24(27)21-9-11-22(28-2)12-10-21)17-25-13-15-26(16-14-25)18-23(29-3)20-7-5-4-6-8-20/h4-12,19,23H,13-18H2,1-3H3

InChIKey

WHHOXCOKGMZNMR-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.2413 Da
Monoisotopic Mass: 3.3
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]+	397.248576	199.1
[M+Na]+	419.230518	200.2
[M-H]-	395.234024	203.9
[M+NH4]+	414.275123	206.0
[M+K]+	435.204458	196.4
[M+H-H2O]+	379.238560	187.1
[M+HCOO]-	441.239501	211.9
[M+CH3COO]-	455.255151	224.1
[M+Na-2H]-	417.215966	196.6
[M]+	396.24075142	197.9
[M]-	396.24184858	197.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.