CID 5748605

3-(3,4-dimethoxyphenyl)-7-hydroxy-4h-chromen-4-one

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC
InChI
InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
InChIKey
VFZIJLPRJAQGFO-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

70
Patents

298.08414 Da
Monoisotopic Mass

2.8
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