CID 24970392

Chembl496969

Structural Information

Molecular Formula
C22H23NO6
SMILES
C1COCCN1CCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H23NO6/c24-16-4-2-15(3-5-16)18-14-29-20-13-17(12-19(25)21(20)22(18)26)28-9-1-6-23-7-10-27-11-8-23/h2-5,12-14,24-25H,1,6-11H2
InChIKey
DGILMNYQUCQOQW-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(3-morpholin-4-ylpropoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.15253 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 194.2
[M+Na]+ 420.14175 200.1
[M-H]- 396.14525 201.7
[M+NH4]+ 415.18635 200.2
[M+K]+ 436.11569 197.7
[M+H-H2O]+ 380.14979 183.2
[M+HCOO]- 442.15073 207.3
[M+CH3COO]- 456.16638 202.5
[M+Na-2H]- 418.12720 197.3
[M]+ 397.15198 195.5
[M]- 397.15308 195.5
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.