CID 71374942

669775-44-4

Structural Information

Molecular Formula

C₂₃H₃₃NO₃

SMILES

CCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC(=CC=C2)O

InChI

InChI=1S/C23H33NO3/c1-4-13-24(14-5-2)15-11-20-9-10-22(26-3)23(18-20)27-16-12-19-7-6-8-21(25)17-19/h6-10,17-18,25H,4-5,11-16H2,1-3H3

InChIKey

WPKONAGIRLBFJW-UHFFFAOYSA-N

Compound name

3-[2-[5-[2-(dipropylamino)ethyl]-2-methoxyphenoxy]ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.24603 Da
Monoisotopic Mass: 5.6
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]+	372.253306	194.8
[M+Na]+	394.235248	198.7
[M-H]-	370.238754	200.4
[M+NH4]+	389.279853	206.8
[M+K]+	410.209188	195.1
[M+H-H2O]+	354.243290	185.2
[M+HCOO]-	416.244231	216.7
[M+CH3COO]-	430.259881	224.1
[M+Na-2H]-	392.220696	195.0
[M]+	371.24548142	201.1
[M]-	371.24657858	201.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.