CID 24383

Acetophenone, 4'-(2-(diethylamino)ethoxy)-6'-hydroxy-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCN(CC)CCOC1=CC(=C(C=C1)C(=O)C)O

InChI

InChI=1S/C14H21NO3/c1-4-15(5-2)8-9-18-12-6-7-13(11(3)16)14(17)10-12/h6-7,10,17H,4-5,8-9H2,1-3H3

InChIKey

GSEKSMQEVWHIIT-UHFFFAOYSA-N

Compound name

1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 251.15215 Da
Monoisotopic Mass: 2.8
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]+	252.159426	159.1
[M+Na]+	274.141368	165.0
[M-H]-	250.144874	162.6
[M+NH4]+	269.185973	176.2
[M+K]+	290.115308	163.8
[M+H-H2O]+	234.149410	152.2
[M+HCOO]-	296.150351	181.9
[M+CH3COO]-	310.166001	200.5
[M+Na-2H]-	272.126816	161.0
[M]+	251.15160142	163.2
[M]-	251.15269858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.