CID 3078131

Alpha-(((5a,6,7,8,9,9a-hexahydro-2-dibenzofuranyl)oxy)methyl)-1h-imidazole-1-ethanol hcl

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₃

SMILES

C1CCC2C(C1)C3=C(O2)C=CC(=C3)OCC(CN4C=CN=C4)O

InChI

InChI=1S/C18H22N2O3/c21-13(10-20-8-7-19-12-20)11-22-14-5-6-18-16(9-14)15-3-1-2-4-17(15)23-18/h5-9,12-13,15,17,21H,1-4,10-11H2

InChIKey

CEQWFWFHFUAXFC-UHFFFAOYSA-N

Compound name

1-(5a,6,7,8,9,9a-hexahydrodibenzofuran-2-yloxy)-3-imidazol-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.16306 Da
Monoisotopic Mass: 2.2
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]+	315.170336	172.6
[M+Na]+	337.152278	177.7
[M-H]-	313.155784	177.1
[M+NH4]+	332.196883	187.4
[M+K]+	353.126218	174.7
[M+H-H2O]+	297.160320	164.6
[M+HCOO]-	359.161261	186.9
[M+CH3COO]-	373.176911	182.3
[M+Na-2H]-	335.137726	173.2
[M]+	314.16251142	172.1
[M]-	314.16360858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.