CID 122553

Eprozinol

Structural Information

Molecular Formula

C₂₂H₃₀N₂O₂

SMILES

COC(CN1CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3

InChIKey

QSRHLIUOSXVKTG-UHFFFAOYSA-N

Compound name

3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 508
Patents: 354.23074 Da
Monoisotopic Mass: 2.7
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]+	355.238016	188.6
[M+Na]+	377.219958	189.4
[M-H]-	353.223464	191.9
[M+NH4]+	372.264563	196.5
[M+K]+	393.193898	184.5
[M+H-H2O]+	337.228000	177.1
[M+HCOO]-	399.228941	201.3
[M+CH3COO]-	413.244591	212.4
[M+Na-2H]-	375.205406	188.5
[M]+	354.23019142	184.4
[M]-	354.23128858	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe