CID 3047373

63434-21-9

Structural Information

Molecular Formula

C₁₉H₂₅NO₄

SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC=C2)O)OC

InChI

InChI=1S/C19H25NO4/c1-22-18-9-8-15(12-19(18)23-2)10-11-20-13-16(21)14-24-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3

InChIKey

SUYWLUKAHMBOQE-UHFFFAOYSA-N

Compound name

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 331.17834 Da
Monoisotopic Mass: 2.6
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]+	332.185616	179.3
[M+Na]+	354.167558	183.5
[M-H]-	330.171064	183.9
[M+NH4]+	349.212163	191.8
[M+K]+	370.141498	180.5
[M+H-H2O]+	314.175600	170.4
[M+HCOO]-	376.176541	201.3
[M+CH3COO]-	390.192191	210.8
[M+Na-2H]-	352.153006	182.0
[M]+	331.17779142	183.4
[M]-	331.17888858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe