CID 3064422

102128-75-6

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

CCN(CC)C(=O)CCNCC1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H24N2O3/c1-3-18(4-2)16(19)9-10-17-11-13-12-20-14-7-5-6-8-15(14)21-13/h5-8,13,17H,3-4,9-12H2,1-2H3

InChIKey

TWGVHOKJAGUCIB-UHFFFAOYSA-N

Compound name

3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N,N-diethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.17868 Da
Monoisotopic Mass: 1.4
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]+	293.185956	172.7
[M+Na]+	315.167898	175.8
[M-H]-	291.171404	178.4
[M+NH4]+	310.212503	186.2
[M+K]+	331.141838	176.5
[M+H-H2O]+	275.175940	164.4
[M+HCOO]-	337.176881	192.2
[M+CH3COO]-	351.192531	210.8
[M+Na-2H]-	313.153346	177.9
[M]+	292.17813142	175.1
[M]-	292.17922858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.