CID 24971213

Chembl496310

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1CCN(CC1)CCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C23H25NO5/c25-17-7-5-16(6-8-17)19-15-29-21-14-18(13-20(26)22(21)23(19)27)28-12-4-11-24-9-2-1-3-10-24/h5-8,13-15,25-26H,1-4,9-12H2
InChIKey
XPCDXJIREBBBGC-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(3-piperidin-1-ylpropoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.17328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 194.7
[M+Na]+ 418.16250 200.2
[M-H]- 394.16600 201.3
[M+NH4]+ 413.20710 202.1
[M+K]+ 434.13644 195.8
[M+H-H2O]+ 378.17054 183.7
[M+HCOO]- 440.17148 208.2
[M+CH3COO]- 454.18713 202.7
[M+Na-2H]- 416.14795 196.7
[M]+ 395.17273 194.2
[M]- 395.17383 194.2
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.