CID 168913

Amifloverine

Structural Information

Molecular Formula

C₁₆H₂₇NO₃

SMILES

CCN(CC)CCOC1=CC(=CC(=C1)OCC)OCC

InChI

InChI=1S/C16H27NO3/c1-5-17(6-2)9-10-20-16-12-14(18-7-3)11-15(13-16)19-8-4/h11-13H,5-10H2,1-4H3

InChIKey

FWOMXAJIAWKNEQ-UHFFFAOYSA-N

Compound name

2-(3,5-diethoxyphenoxy)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 281.1991 Da
Monoisotopic Mass: 3.3
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]+	282.206376	169.2
[M+Na]+	304.188318	174.5
[M-H]-	280.191824	173.5
[M+NH4]+	299.232923	185.9
[M+K]+	320.162258	173.9
[M+H-H2O]+	264.196360	161.4
[M+HCOO]-	326.197301	193.6
[M+CH3COO]-	340.212951	209.1
[M+Na-2H]-	302.173766	171.7
[M]+	281.19855142	177.3
[M]-	281.19964858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe