CID 210444

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

Structural Information

Molecular Formula

C₂₅H₃₄N₂O₃

SMILES

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

InChI

InChI=1S/C25H34N2O3/c1-4-30-24(21-8-6-5-7-9-21)19-27-16-14-26(15-17-27)18-20(2)25(28)22-10-12-23(29-3)13-11-22/h5-13,20,24H,4,14-19H2,1-3H3

InChIKey

MPDFIZGLPHOGSD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 410.25696 Da
Monoisotopic Mass: 3.7
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]+	411.264236	203.5
[M+Na]+	433.246178	204.1
[M-H]-	409.249684	208.1
[M+NH4]+	428.290783	209.8
[M+K]+	449.220118	200.1
[M+H-H2O]+	393.254220	191.3
[M+HCOO]-	455.255161	216.0
[M+CH3COO]-	469.270811	227.0
[M+Na-2H]-	431.231626	200.4
[M]+	410.25641142	202.6
[M]-	410.25750858	202.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.