CID 434065

65799-69-1

Structural Information

Molecular Formula

C₁₇H₁₉NO₄

SMILES

CCN(CC)CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChI=1S/C17H19NO4/c1-3-18(4-2)8-10-21-17-12-5-6-16(19)22-15(12)11-14-13(17)7-9-20-14/h5-7,9,11H,3-4,8,10H2,1-2H3

InChIKey

YQWYIAAGSFGJFL-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethoxy]furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.1314 Da
Monoisotopic Mass: 3.1
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]+	302.138676	168.6
[M+Na]+	324.120618	178.4
[M-H]-	300.124124	177.4
[M+NH4]+	319.165223	185.8
[M+K]+	340.094558	178.0
[M+H-H2O]+	284.128660	161.7
[M+HCOO]-	346.129601	192.8
[M+CH3COO]-	360.145251	209.6
[M+Na-2H]-	322.106066	176.0
[M]+	301.13085142	178.9
[M]-	301.13194858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe