CID 3070706

135261-74-4

Structural Information

Molecular Formula

C₂₀H₂₇NO₃

SMILES

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

InChI

InChI=1S/C20H27NO3/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3/h4-10,13,18,22H,11-12,14-15H2,1-3H3

InChIKey

VNRNJNRVACIMAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 63
Patents: 329.1991 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]+	330.20638	181.6
[M+Na]+	352.18832	185.6
[M-H]-	328.19182	187.5
[M+NH4]+	347.23292	194.9
[M+K]+	368.16226	183.2
[M+H-H2O]+	312.19636	172.6
[M+HCOO]-	374.19730	203.5
[M+CH3COO]-	388.21295	214.9
[M+Na-2H]-	350.17377	182.8
[M]+	329.19855	185.8
[M]-	329.19965	185.8

Literature stripe

literature stripe

Patent stripe

patents stripe