CID 119382

Dtxsid70164264

Structural Information

Molecular Formula

C₂₁H₂₉NO₂

SMILES

CCN(CC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO2/c1-4-22(5-2)15-13-19-11-12-20(23-3)21(17-19)24-16-14-18-9-7-6-8-10-18/h6-12,17H,4-5,13-16H2,1-3H3

InChIKey

SGOYTGAINKUTPS-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 100
References: 7
Patents: 327.21982 Da
Monoisotopic Mass: 4.4
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]+	328.227096	182.8
[M+Na]+	350.209038	187.2
[M-H]-	326.212544	189.8
[M+NH4]+	345.253643	197.1
[M+K]+	366.182978	184.2
[M+H-H2O]+	310.217080	173.3
[M+HCOO]-	372.218021	206.6
[M+CH3COO]-	386.233671	217.5
[M+Na-2H]-	348.194486	185.1
[M]+	327.21927142	188.4
[M]-	327.22036858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe