CID 24971064

Chembl526822

Structural Information

Molecular Formula
C23H25NO6
SMILES
C1COCCN1CCCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C23H25NO6/c25-17-5-3-16(4-6-17)19-15-30-21-14-18(13-20(26)22(21)23(19)27)29-10-2-1-7-24-8-11-28-12-9-24/h3-6,13-15,25-26H,1-2,7-12H2
InChIKey
KFWXVGXRJSBHFX-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(4-morpholin-4-ylbutoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.16818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 198.6
[M+Na]+ 434.15740 204.1
[M-H]- 410.16090 205.9
[M+NH4]+ 429.20200 204.0
[M+K]+ 450.13134 201.5
[M+H-H2O]+ 394.16544 187.4
[M+HCOO]- 456.16638 211.3
[M+CH3COO]- 470.18203 206.5
[M+Na-2H]- 432.14285 201.2
[M]+ 411.16763 200.3
[M]- 411.16873 200.3
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.