CID 442788

Homoferreirin

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
InChI
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
InChIKey
LMLDNMHDNFCNCW-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

316.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 169.9
[M+Na]+ 339.08392 184.0
[M+NH4]+ 334.12852 176.7
[M+K]+ 355.05786 178.6
[M-H]- 315.08742 174.2
[M+Na-2H]- 337.06937 174.7
[M]+ 316.09415 173.1
[M]- 316.09525 173.1
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