CID 24971218

Chembl495934

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1CCN(CC1)CCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H23NO5/c24-16-6-4-15(5-7-16)18-14-28-20-13-17(12-19(25)21(20)22(18)26)27-11-10-23-8-2-1-3-9-23/h4-7,12-14,24-25H,1-3,8-11H2
InChIKey
RZJYHPRCJULLDE-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(2-piperidin-1-ylethoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 190.3
[M+Na]+ 404.14684 196.2
[M-H]- 380.15034 197.1
[M+NH4]+ 399.19144 198.3
[M+K]+ 420.12078 192.0
[M+H-H2O]+ 364.15488 179.5
[M+HCOO]- 426.15582 204.1
[M+CH3COO]- 440.17147 198.7
[M+Na-2H]- 402.13229 192.8
[M]+ 381.15707 189.5
[M]- 381.15817 189.5
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.