CID 5281601

5128-44-9

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
InChI
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
InChIKey
LZERJKGWTQYMBB-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

164
Patents

298.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 164.7
[M+Na]+ 321.07336 181.5
[M+NH4]+ 316.11796 172.6
[M+K]+ 337.04730 174.5
[M-H]- 297.07686 170.4
[M+Na-2H]- 319.05881 172.6
[M]+ 298.08359 168.9
[M]- 298.08469 168.9
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

patents stripe