CID 160596

Fonsecin b

Structural Information

Molecular Formula
C16H16O6
SMILES
CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC)O)O
InChI
InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3
InChIKey
ZYTKFYQKQVYVMW-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.0947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 165.8
[M+Na]+ 327.08392 179.3
[M+NH4]+ 322.12852 174.3
[M+K]+ 343.05786 172.3
[M-H]- 303.08742 168.4
[M+Na-2H]- 325.06937 169.8
[M]+ 304.09415 168.6
[M]- 304.09525 168.6
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

No patent data available for this compound.