CID 56565

Brn 2475304

Structural Information

Molecular Formula

C₁₆H₂₅NO₄

SMILES

CCCC1=CC(=C(C=C1)OCC(=O)N(CC)OCC)OC

InChI

InChI=1S/C16H25NO4/c1-5-8-13-9-10-14(15(11-13)19-4)20-12-16(18)17(6-2)21-7-3/h9-11H,5-8,12H2,1-4H3

InChIKey

GOSGYQXZWSJFPG-UHFFFAOYSA-N

Compound name

N-ethoxy-N-ethyl-2-(2-methoxy-4-propylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.17834 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]+	296.185616	171.0
[M+Na]+	318.167558	176.4
[M-H]-	294.171064	175.5
[M+NH4]+	313.212163	187.0
[M+K]+	334.141498	176.3
[M+H-H2O]+	278.175600	163.3
[M+HCOO]-	340.176541	194.9
[M+CH3COO]-	354.192191	210.5
[M+Na-2H]-	316.153006	172.5
[M]+	295.17779142	179.1
[M]-	295.17888858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe