CID 11825726

Chembl498613

Structural Information

Molecular Formula
C24H27NO5
SMILES
C1CCN(CC1)CCCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C24H27NO5/c26-18-8-6-17(7-9-18)20-16-30-22-15-19(14-21(27)23(22)24(20)28)29-13-5-4-12-25-10-2-1-3-11-25/h6-9,14-16,26-27H,1-5,10-13H2
InChIKey
FXTCKKMZEOJVNP-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.18893 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19621 199.1
[M+Na]+ 432.17815 204.1
[M-H]- 408.18165 205.5
[M+NH4]+ 427.22275 205.9
[M+K]+ 448.15209 199.5
[M+H-H2O]+ 392.18619 187.9
[M+HCOO]- 454.18713 212.2
[M+CH3COO]- 468.20278 206.6
[M+Na-2H]- 430.16360 200.6
[M]+ 409.18838 198.9
[M]- 409.18948 198.9
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.