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 164.7
[M+Na]+ 327.08392 175.1
[M-H]- 303.08742 169.1
[M+NH4]+ 322.12852 181.8
[M+K]+ 343.05786 173.5
[M+H-H2O]+ 287.09196 158.5
[M+HCOO]- 349.09290 180.7
[M+CH3COO]- 363.10855 202.7
[M+Na-2H]- 325.06937 171.1
[M]+ 304.09415 169.6
[M]- 304.09525 169.6
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.