CID 24970393

Chembl498611

Structural Information

Molecular Formula
C26H33NO5
SMILES
CCCCN(CCCC)CCCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C26H33NO5/c1-3-5-12-27(13-6-4-2)14-7-15-31-21-16-23(29)25-24(17-21)32-18-22(26(25)30)19-8-10-20(28)11-9-19/h8-11,16-18,28-29H,3-7,12-15H2,1-2H3
InChIKey
KLTMGMMQIGZVQS-UHFFFAOYSA-N
Compound name
7-[3-(dibutylamino)propoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.23587 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24315 210.9
[M+Na]+ 462.22509 216.0
[M-H]- 438.22859 217.1
[M+NH4]+ 457.26969 219.0
[M+K]+ 478.19903 212.6
[M+H-H2O]+ 422.23313 200.6
[M+HCOO]- 484.23407 229.2
[M+CH3COO]- 498.24972 234.8
[M+Na-2H]- 460.21054 211.6
[M]+ 439.23532 218.4
[M]- 439.23642 218.4
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.