CID 24971065

Chembl507096

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C1CN(CCN1)CCCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C23H26N2O5/c26-17-5-3-16(4-6-17)19-15-30-21-14-18(13-20(27)22(21)23(19)28)29-12-2-1-9-25-10-7-24-8-11-25/h3-6,13-15,24,26-27H,1-2,7-12H2
InChIKey
GZTAZHKDXNQNKY-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(4-piperazin-1-ylbutoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 199.3
[M+Na]+ 433.17339 204.2
[M-H]- 409.17689 203.1
[M+NH4]+ 428.21799 204.0
[M+K]+ 449.14733 198.7
[M+H-H2O]+ 393.18143 187.7
[M+HCOO]- 455.18237 209.9
[M+CH3COO]- 469.19802 205.7
[M+Na-2H]- 431.15884 200.9
[M]+ 410.18362 197.6
[M]- 410.18472 197.6
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.