CID 3718366

2-me-1-(3-me-ph)-4-(2-(3,4,5-trimethoxyphenyl)ethyl)piperazin-4-ium chloride

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₃

SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)CCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H32N2O3/c1-17-7-6-8-20(13-17)25-12-11-24(16-18(25)2)10-9-19-14-21(26-3)23(28-5)22(15-19)27-4/h6-8,13-15,18H,9-12,16H2,1-5H3

InChIKey

UGNDODWSHUWAMN-UHFFFAOYSA-N

Compound name

2-methyl-1-(3-methylphenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.2413 Da
Monoisotopic Mass: 4.5
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]+	385.248576	198.1
[M+Na]+	407.230518	204.0
[M-H]-	383.234024	204.4
[M+NH4]+	402.275123	207.1
[M+K]+	423.204458	199.5
[M+H-H2O]+	367.238560	186.5
[M+HCOO]-	429.239501	214.0
[M+CH3COO]-	443.255151	224.2
[M+Na-2H]-	405.215966	196.3
[M]+	384.24075142	200.7
[M]-	384.24184858	200.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.