CID 766936

312510-68-2

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

COC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19NO4/c1-21-15-5-2-13(3-6-15)16(20)8-9-19-14-4-7-17-18(12-14)23-11-10-22-17/h2-7,12,19H,8-11H2,1H3

InChIKey

HRNNZVHTFLJHCY-UHFFFAOYSA-N

Compound name

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 313.1314 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]+	314.138676	172.8
[M+Na]+	336.120618	177.9
[M-H]-	312.124124	180.9
[M+NH4]+	331.165223	184.8
[M+K]+	352.094558	177.0
[M+H-H2O]+	296.128660	163.9
[M+HCOO]-	358.129601	191.8
[M+CH3COO]-	372.145251	208.4
[M+Na-2H]-	334.106066	179.1
[M]+	313.13085142	174.8
[M]-	313.13194858	174.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.