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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 168.6
[M+Na]+ 324.12062 178.4
[M-H]- 300.12412 177.4
[M+NH4]+ 319.16522 185.8
[M+K]+ 340.09456 178.0
[M+H-H2O]+ 284.12866 161.7
[M+HCOO]- 346.12960 192.8
[M+CH3COO]- 360.14525 209.6
[M+Na-2H]- 322.10607 176.0
[M]+ 301.13085 178.9
[M]- 301.13195 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.