CID 22020331

1329611-47-3

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

CCOC1=CC=CC=C1OCCNC(C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27NO3/c1-4-23-19-7-5-6-8-20(19)24-14-13-21-16(2)15-17-9-11-18(22-3)12-10-17/h5-12,16,21H,4,13-15H2,1-3H3

InChIKey

IBSHYZYWVDSBOI-UHFFFAOYSA-N

Compound name

N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 329.1991 Da
Monoisotopic Mass: 4.2
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]+	330.206376	181.2
[M+Na]+	352.188318	185.5
[M-H]-	328.191824	187.0
[M+NH4]+	347.232923	194.6
[M+K]+	368.162258	182.5
[M+H-H2O]+	312.196360	172.0
[M+HCOO]-	374.197301	204.1
[M+CH3COO]-	388.212951	214.1
[M+Na-2H]-	350.173766	183.7
[M]+	329.19855142	186.0
[M]-	329.19964858	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe