CID 24971118

Chembl497386

Structural Information

Molecular Formula
C24H23NO6
SMILES
C1=COC(=C1)CNCCCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C24H23NO6/c26-17-7-5-16(6-8-17)20-15-31-22-13-19(12-21(27)23(22)24(20)28)30-10-2-1-9-25-14-18-4-3-11-29-18/h3-8,11-13,15,25-27H,1-2,9-10,14H2
InChIKey
DNSSZIWMBMAHIX-UHFFFAOYSA-N
Compound name
7-[4-(furan-2-ylmethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.15253 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15981 199.4
[M+Na]+ 444.14175 207.3
[M-H]- 420.14525 209.7
[M+NH4]+ 439.18635 207.8
[M+K]+ 460.11569 204.3
[M+H-H2O]+ 404.14979 190.2
[M+HCOO]- 466.15073 220.7
[M+CH3COO]- 480.16638 224.3
[M+Na-2H]- 442.12720 203.3
[M]+ 421.15198 206.8
[M]- 421.15308 206.8
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.