CID 205320

1-(m-methoxyphenyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₅

SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H30N2O5/c1-27-19-7-5-6-18(16-19)25-12-10-24(11-13-25)9-8-20(26)17-14-21(28-2)23(30-4)22(15-17)29-3/h5-7,14-16H,8-13H2,1-4H3

InChIKey

XDYWJSWVCXIAMA-UHFFFAOYSA-N

Compound name

3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 414.21548 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]+	415.222756	201.4
[M+Na]+	437.204698	205.9
[M-H]-	413.208204	207.5
[M+NH4]+	432.249303	208.5
[M+K]+	453.178638	202.9
[M+H-H2O]+	397.212740	189.5
[M+HCOO]-	459.213681	216.9
[M+CH3COO]-	473.229331	227.4
[M+Na-2H]-	435.190146	199.7
[M]+	414.21493142	205.1
[M]-	414.21602858	205.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.