CID 24971215

Chembl496513

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CN1CCN(CC1)CCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)7-2-12-29-18-13-20(27)22-21(14-18)30-15-19(23(22)28)16-3-5-17(26)6-4-16/h3-6,13-15,26-27H,2,7-12H2,1H3
InChIKey
CCZUODJSOHJXIY-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 200.7
[M+Na]+ 433.17339 206.9
[M-H]- 409.17689 206.2
[M+NH4]+ 428.21799 206.3
[M+K]+ 449.14733 202.3
[M+H-H2O]+ 393.18143 188.9
[M+HCOO]- 455.18237 212.7
[M+CH3COO]- 469.19802 208.1
[M+Na-2H]- 431.15884 201.8
[M]+ 410.18362 201.1
[M]- 410.18472 201.1
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.