CID 3050047

1-(n-(2-(2-methyl-1-phenoxy)-1-ethyl)piperazino)-1-phenyl-2-butanol dihydrochloride

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₂

SMILES

CCC(C(C1=CC=CC=C1)N2CCN(CC2)CCOC3=CC=CC=C3C)O

InChI

InChI=1S/C23H32N2O2/c1-3-21(26)23(20-10-5-4-6-11-20)25-15-13-24(14-16-25)17-18-27-22-12-8-7-9-19(22)2/h4-12,21,23,26H,3,13-18H2,1-2H3

InChIKey

ZPHZHAFVSJGNQD-UHFFFAOYSA-N

Compound name

1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-1-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.24637 Da
Monoisotopic Mass: 3.9
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]+	369.253646	193.4
[M+Na]+	391.235588	194.7
[M-H]-	367.239094	196.9
[M+NH4]+	386.280193	201.1
[M+K]+	407.209528	189.6
[M+H-H2O]+	351.243630	181.9
[M+HCOO]-	413.244571	205.7
[M+CH3COO]-	427.260221	216.6
[M+Na-2H]-	389.221036	191.9
[M]+	368.24582142	189.9
[M]-	368.24691858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.