CID 24970394

Chembl522397

Structural Information

Molecular Formula
C23H21NO6
SMILES
C1=COC(=C1)CNCCCOC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C23H21NO6/c25-16-6-4-15(5-7-16)19-14-30-21-12-18(11-20(26)22(21)23(19)27)29-10-2-8-24-13-17-3-1-9-28-17/h1,3-7,9,11-12,14,24-26H,2,8,10,13H2
InChIKey
BNOGMGRQPIPURV-UHFFFAOYSA-N
Compound name
7-[3-(furan-2-ylmethylamino)propoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.1369 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14418 194.8
[M+Na]+ 430.12612 203.3
[M-H]- 406.12962 205.4
[M+NH4]+ 425.17072 203.8
[M+K]+ 446.10006 200.4
[M+H-H2O]+ 390.13416 185.9
[M+HCOO]- 452.13510 216.5
[M+CH3COO]- 466.15075 205.4
[M+Na-2H]- 428.11157 199.3
[M]+ 407.13635 202.0
[M]- 407.13745 202.0
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.