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]+ 329.06558 167.5
[M+Na]+ 351.04752 179.0
[M-H]- 327.05102 175.2
[M+NH4]+ 346.09212 183.7
[M+K]+ 367.02146 178.2
[M+H-H2O]+ 311.05556 161.9
[M+HCOO]- 373.05650 184.5
[M+CH3COO]- 387.07215 209.6
[M+Na-2H]- 349.03297 172.9
[M]+ 328.05775 175.4
[M]- 328.05885 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.