CID 216221

Floredil

Structural Information

Molecular Formula

C₁₆H₂₅NO₄

SMILES

CCOC1=CC(=CC(=C1)OCCN2CCOCC2)OCC

InChI

InChI=1S/C16H25NO4/c1-3-19-14-11-15(20-4-2)13-16(12-14)21-10-7-17-5-8-18-9-6-17/h11-13H,3-10H2,1-2H3

InChIKey

MXVLJFCCQMXEEE-UHFFFAOYSA-N

Compound name

4-[2-(3,5-diethoxyphenoxy)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1059
Patents: 295.17834 Da
Monoisotopic Mass: 2.2
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	170.4
[M+Na]+	318.167558	174.7
[M-H]-	294.171064	175.1
[M+NH4]+	313.212163	182.8
[M+K]+	334.141498	174.1
[M+H-H2O]+	278.175600	161.2
[M+HCOO]-	340.176541	188.4
[M+CH3COO]-	354.192191	202.1
[M+Na-2H]-	316.153006	173.9
[M]+	295.17779142	173.5
[M]-	295.17888858	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe