CID 9944143

Barpisoflavone a

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=CC(=CC2=C1C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3
InChIKey
TUTSVLUUGMNALO-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 164.6
[M+Na]+ 323.05262 180.3
[M+NH4]+ 318.09722 171.3
[M+K]+ 339.02656 174.9
[M-H]- 299.05612 168.9
[M+Na-2H]- 321.03807 170.7
[M]+ 300.06285 168.1
[M]- 300.06395 168.1
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