CID 37235

35689-41-9

Structural Information

Molecular Formula

C₁₇H₁₉NO₅

SMILES

CCN(CC)CCOC(=O)C1=CC2=CC3=C(C=C2O1)OC=CO3

InChI

InChI=1S/C17H19NO5/c1-3-18(4-2)5-6-22-17(19)16-10-12-9-14-15(11-13(12)23-16)21-8-7-20-14/h7-11H,3-6H2,1-2H3

InChIKey

AKWADDSNSUCQNY-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl furo[2,3-g][1,4]benzodioxine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.1263 Da
Monoisotopic Mass: 3.0
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]+	318.133576	174.2
[M+Na]+	340.115518	181.8
[M-H]-	316.119024	182.9
[M+NH4]+	335.160123	188.8
[M+K]+	356.089458	183.6
[M+H-H2O]+	300.123560	167.4
[M+HCOO]-	362.124501	195.1
[M+CH3COO]-	376.140151	211.5
[M+Na-2H]-	338.100966	180.8
[M]+	317.12575142	183.9
[M]-	317.12684858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.