CID 3070702

86819-15-0

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3

InChIKey

QXHABUAVMNCRKP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 299.18854 Da
Monoisotopic Mass: 3.5
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	174.1
[M+Na]+	322.177758	177.8
[M-H]-	298.181264	179.8
[M+NH4]+	317.222363	188.4
[M+K]+	338.151698	174.8
[M+H-H2O]+	282.185800	165.3
[M+HCOO]-	344.186741	196.1
[M+CH3COO]-	358.202391	208.7
[M+Na-2H]-	320.163206	176.5
[M]+	299.18799142	176.1
[M]-	299.18908858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe