CID 44257496

Bryaquinone

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=C(C2=C(C=C1)C3=C(CO2)C4=C(O3)C(=O)C(=O)C=C4OC)O
InChI
InChI=1S/C17H12O7/c1-21-10-4-3-7-15-8(6-23-16(7)14(10)20)12-11(22-2)5-9(18)13(19)17(12)24-15/h3-5,20H,6H2,1-2H3
InChIKey
GRCODZNXJRUTGU-UHFFFAOYSA-N
Compound name
4-hydroxy-3,7-dimethoxy-6H-[1]benzofuro[3,2-c]chromene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.065576 167.5
[M+Na]+ 351.047518 179.0
[M-H]- 327.051024 175.2
[M+NH4]+ 346.092123 183.7
[M+K]+ 367.021458 178.2
[M+H-H2O]+ 311.055560 161.9
[M+HCOO]- 373.056501 184.5
[M+CH3COO]- 387.072151 209.6
[M+Na-2H]- 349.032966 172.9
[M]+ 328.05775142 175.4
[M]- 328.05884858 175.4
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.