CID 113753

2-propanol, 1-(4-(1-methylpropenyl)phenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂

SMILES

CC=C(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O2/c1-3-19(2)20-9-11-23(12-10-20)27-18-22(26)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h3-12,22,26H,13-18H2,1-2H3

InChIKey

JPZMFQISPAJLCZ-UHFFFAOYSA-N

Compound name

1-(4-but-2-en-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.23074 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]+	367.238016	192.7
[M+Na]+	389.219958	194.4
[M-H]-	365.223464	196.3
[M+NH4]+	384.264563	200.5
[M+K]+	405.193898	188.7
[M+H-H2O]+	349.228000	181.3
[M+HCOO]-	411.228941	205.2
[M+CH3COO]-	425.244591	215.2
[M+Na-2H]-	387.205406	191.2
[M]+	366.23019142	188.4
[M]-	366.23128858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.