CID 3057301

1-(4-(2-methoxyethyl)phenoxy)-3-((2-phenylethyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

COCCC1=CC=C(C=C1)OCC(CNCCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO3/c1-23-14-12-18-7-9-20(10-8-18)24-16-19(22)15-21-13-11-17-5-3-2-4-6-17/h2-10,19,21-22H,11-16H2,1H3

InChIKey

BNIMLEALQBENIH-UHFFFAOYSA-N

Compound name

1-[4-(2-methoxyethyl)phenoxy]-3-(2-phenylethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.1991 Da
Monoisotopic Mass: 3.0
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]+	330.206376	180.9
[M+Na]+	352.188318	183.8
[M-H]-	328.191824	184.9
[M+NH4]+	347.232923	193.2
[M+K]+	368.162258	179.9
[M+H-H2O]+	312.196360	171.8
[M+HCOO]-	374.197301	202.3
[M+CH3COO]-	388.212951	210.4
[M+Na-2H]-	350.173766	183.7
[M]+	329.19855142	183.4
[M]-	329.19964858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.