CID 18986923

669775-43-3

Structural Information

Molecular Formula

C₂₃H₃₃NO₃

SMILES

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

InChI

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

InChIKey

XGMGOPZOOJNJPJ-UHFFFAOYSA-N

Compound name

4-[2-[5-[2-(dipropylamino)ethyl]-2-methoxyphenoxy]ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	372.25331	194.8
[M+Na]+	394.23525	198.7
[M-H]-	370.23875	200.4
[M+NH4]+	389.27985	206.8
[M+K]+	410.20919	195.1
[M+H-H2O]+	354.24329	185.2
[M+HCOO]-	416.24423	216.7
[M+CH3COO]-	430.25988	224.1
[M+Na-2H]-	392.22070	195.0
[M]+	371.24548	201.1
[M]-	371.24658	201.1

Literature stripe

literature stripe

Patent stripe

patents stripe