CID 338286

Haginin a

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C=CC(=C1OC)O)C2=CC3=C(C=C(C=C3)O)OC2
InChI
InChI=1S/C17H16O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3
InChIKey
JGINXZCTOGQYKS-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2,3-dimethoxyphenyl)-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

300.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.107036 166.6
[M+Na]+ 323.088978 175.6
[M-H]- 299.092484 173.2
[M+NH4]+ 318.133583 180.5
[M+K]+ 339.062918 173.3
[M+H-H2O]+ 283.097020 159.0
[M+HCOO]- 345.097961 185.3
[M+CH3COO]- 359.113611 200.9
[M+Na-2H]- 321.074426 171.8
[M]+ 300.09921142 170.3
[M]- 300.10030858 170.3
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