CID 213417

26327-66-2

Structural Information

Molecular Formula

C₁₈H₂₃NO₃

SMILES

CC1=CC=CC=C1OC2=CC=CC=C2OCC(CN(C)C)O

InChI

InChI=1S/C18H23NO3/c1-14-8-4-5-9-16(14)22-18-11-7-6-10-17(18)21-13-15(20)12-19(2)3/h4-11,15,20H,12-13H2,1-3H3

InChIKey

YJCVORLEBMWDSE-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.1678 Da
Monoisotopic Mass: 3.2
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]+	302.175076	172.3
[M+Na]+	324.157018	177.3
[M-H]-	300.160524	178.7
[M+NH4]+	319.201623	186.8
[M+K]+	340.130958	175.3
[M+H-H2O]+	284.165060	163.7
[M+HCOO]-	346.166001	195.0
[M+CH3COO]-	360.181651	209.0
[M+Na-2H]-	322.142466	174.7
[M]+	301.16725142	175.9
[M]-	301.16834858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.