CID 59198

102008-71-9

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₃

SMILES

C1=CC=C(C=C1)OCC(=O)NCCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C19H24N2O3/c20-16-9-11-18(12-10-16)23-14-6-2-5-13-21-19(22)15-24-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-15,20H2,(H,21,22)

InChIKey

DAYHEVSELYHNCX-UHFFFAOYSA-N

Compound name

N-[5-(4-aminophenoxy)pentyl]-2-phenoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.17868 Da
Monoisotopic Mass: 3.3
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]+	329.185956	178.8
[M+Na]+	351.167898	182.1
[M-H]-	327.171404	183.8
[M+NH4]+	346.212503	191.2
[M+K]+	367.141838	178.3
[M+H-H2O]+	311.175940	169.3
[M+HCOO]-	373.176881	202.7
[M+CH3COO]-	387.192531	213.0
[M+Na-2H]-	349.153346	182.0
[M]+	328.17813142	180.3
[M]-	328.17922858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe