CID 24971170

Chembl522915

Structural Information

Molecular Formula
C22H19NO6
SMILES
C1=COC(=C1)CNCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H19NO6/c24-15-5-3-14(4-6-15)18-13-29-20-11-17(10-19(25)21(20)22(18)26)28-9-7-23-12-16-2-1-8-27-16/h1-6,8,10-11,13,23-25H,7,9,12H2
InChIKey
VWUAMILXBLUMQL-UHFFFAOYSA-N
Compound name
7-[2-(furan-2-ylmethylamino)ethoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.12125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12853 190.3
[M+Na]+ 416.11047 199.2
[M-H]- 392.11397 201.0
[M+NH4]+ 411.15507 199.9
[M+K]+ 432.08441 196.5
[M+H-H2O]+ 376.11851 181.6
[M+HCOO]- 438.11945 212.3
[M+CH3COO]- 452.13510 201.3
[M+Na-2H]- 414.09592 195.2
[M]+ 393.12070 197.1
[M]- 393.12180 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.