CID 24971119

Chembl497387

Structural Information

Molecular Formula
C22H20N2O5
SMILES
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OCCCCN4C=CN=C4)O
InChI
InChI=1S/C22H20N2O5/c25-16-5-3-15(4-6-16)18-13-29-20-12-17(11-19(26)21(20)22(18)27)28-10-2-1-8-24-9-7-23-14-24/h3-7,9,11-14,25-26H,1-2,8,10H2
InChIKey
LGGZCNGNRXCHSE-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-7-(4-imidazol-1-ylbutoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.1372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 191.9
[M+Na]+ 415.12642 201.6
[M-H]- 391.12992 199.2
[M+NH4]+ 410.17102 200.4
[M+K]+ 431.10036 196.5
[M+H-H2O]+ 375.13446 181.6
[M+HCOO]- 437.13540 210.9
[M+CH3COO]- 451.15105 201.9
[M+Na-2H]- 413.11187 195.2
[M]+ 392.13665 198.0
[M]- 392.13775 198.0
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.