CID 212610

Dtxsid20947483

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CCN(CC)CCCOC1=CC=CC=C1OC2=CC=CC=C2

InChI

InChI=1S/C19H25NO2/c1-3-20(4-2)15-10-16-21-18-13-8-9-14-19(18)22-17-11-6-5-7-12-17/h5-9,11-14H,3-4,10,15-16H2,1-2H3

InChIKey

ZBQVNPOISMWDAX-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-(2-phenoxyphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 299.18854 Da
Monoisotopic Mass: 4.0
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]+	300.195816	173.7
[M+Na]+	322.177758	178.1
[M-H]-	298.181264	180.7
[M+NH4]+	317.222363	188.8
[M+K]+	338.151698	175.4
[M+H-H2O]+	282.185800	164.4
[M+HCOO]-	344.186741	198.2
[M+CH3COO]-	358.202391	210.4
[M+Na-2H]-	320.163206	177.8
[M]+	299.18799142	178.2
[M]-	299.18908858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe