CID 24971219

Chembl524441

Structural Information

Molecular Formula
C21H22N2O5
SMILES
C1CN(CCN1)CCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C21H22N2O5/c24-15-3-1-14(2-4-15)17-13-28-19-12-16(11-18(25)20(19)21(17)26)27-10-9-23-7-5-22-6-8-23/h1-4,11-13,22,24-25H,5-10H2
InChIKey
KUZXJMDUWUNZMW-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(2-piperazin-1-ylethoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.15286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 190.7
[M+Na]+ 405.14208 196.6
[M-H]- 381.14558 194.9
[M+NH4]+ 400.18668 196.6
[M+K]+ 421.11602 191.5
[M+H-H2O]+ 365.15012 179.6
[M+HCOO]- 427.15106 202.0
[M+CH3COO]- 441.16671 198.1
[M+Na-2H]- 403.12753 193.3
[M]+ 382.15231 188.4
[M]- 382.15341 188.4
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.