CID 24970390

Chembl498399

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OCCN4C=CN=C4)O
InChI
InChI=1S/C20H16N2O5/c23-14-3-1-13(2-4-14)16-11-27-18-10-15(9-17(24)19(18)20(16)25)26-8-7-22-6-5-21-12-22/h1-6,9-12,23-24H,7-8H2
InChIKey
YPBTZQFVLQYFHQ-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(2-imidazol-1-ylethoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.10593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11321 182.9
[M+Na]+ 387.09515 193.5
[M-H]- 363.09865 190.6
[M+NH4]+ 382.13975 192.6
[M+K]+ 403.06909 188.8
[M+H-H2O]+ 347.10319 173.1
[M+HCOO]- 409.10413 202.6
[M+CH3COO]- 423.11978 193.9
[M+Na-2H]- 385.08060 187.3
[M]+ 364.10538 188.5
[M]- 364.10648 188.5
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.