CID 24971167

Chembl495935

Structural Information

Molecular Formula
C21H21NO6
SMILES
C1COCCN1CCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C21H21NO6/c23-15-3-1-14(2-4-15)17-13-28-19-12-16(11-18(24)20(19)21(17)25)27-10-7-22-5-8-26-9-6-22/h1-4,11-13,23-24H,5-10H2
InChIKey
MGRVPZZWDFRRHB-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.1369 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 189.7
[M+Na]+ 406.12612 196.1
[M-H]- 382.12962 197.4
[M+NH4]+ 401.17072 196.3
[M+K]+ 422.10006 193.9
[M+H-H2O]+ 366.13416 178.9
[M+HCOO]- 428.13510 203.1
[M+CH3COO]- 442.15075 198.5
[M+Na-2H]- 404.11157 193.3
[M]+ 383.13635 190.8
[M]- 383.13745 190.8
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.