CID 3064430

102128-83-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

CNC(=O)CCN(C)CC1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H20N2O3/c1-15-14(17)7-8-16(2)9-11-10-18-12-5-3-4-6-13(12)19-11/h3-6,11H,7-10H2,1-2H3,(H,15,17)

InChIKey

RPOKOWBKGMEROE-UHFFFAOYSA-N

Compound name

3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.1474 Da
Monoisotopic Mass: 1.0
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]+	265.154676	163.2
[M+Na]+	287.136618	167.3
[M-H]-	263.140124	169.3
[M+NH4]+	282.181223	177.9
[M+K]+	303.110558	168.4
[M+H-H2O]+	247.144660	155.3
[M+HCOO]-	309.145601	183.5
[M+CH3COO]-	323.161251	204.8
[M+Na-2H]-	285.122066	169.5
[M]+	264.14685142	165.0
[M]-	264.14794858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.