CID 24971169

Chembl525900

Structural Information

Molecular Formula
C25H31NO5
SMILES
CCCCN(CCCC)CCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C25H31NO5/c1-3-5-11-26(12-6-4-2)13-14-30-20-15-22(28)24-23(16-20)31-17-21(25(24)29)18-7-9-19(27)10-8-18/h7-10,15-17,27-28H,3-6,11-14H2,1-2H3
InChIKey
PAAXKEIJIYHRCZ-UHFFFAOYSA-N
Compound name
7-[2-(dibutylamino)ethoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.2202 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22748 206.3
[M+Na]+ 448.20942 211.9
[M-H]- 424.21292 212.8
[M+NH4]+ 443.25402 215.0
[M+K]+ 464.18336 208.7
[M+H-H2O]+ 408.21746 196.3
[M+HCOO]- 470.21840 225.0
[M+CH3COO]- 484.23405 231.9
[M+Na-2H]- 446.19487 207.6
[M]+ 425.21965 213.6
[M]- 425.22075 213.6
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.