CID 71315223

1329611-47-3

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

CCOC1=CC=CC=C1OCCN[C@H](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/t16-/m1/s1

InChIKey

IBSHYZYWVDSBOI-MRXNPFEDSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
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]+	330.20638	181.2
[M+Na]+	352.18832	185.5
[M-H]-	328.19182	187.0
[M+NH4]+	347.23292	194.6
[M+K]+	368.16226	182.5
[M+H-H2O]+	312.19636	172.0
[M+HCOO]-	374.19730	204.1
[M+CH3COO]-	388.21295	214.1
[M+Na-2H]-	350.17377	183.7
[M]+	329.19855	186.0
[M]-	329.19965	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe