CID 44257502

Bryacarpene 4

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C2=C(C=C1)C3=C(CO2)C4=C(O3)C(=C(C=C4)OC)OC)O
InChI
InChI=1S/C18H16O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,19H,8H2,1-3H3
InChIKey
VXLPCXJIKXLNSX-UHFFFAOYSA-N
Compound name
3,9,10-trimethoxy-6H-[1]benzofuro[3,2-c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 171.0
[M+Na]+ 351.083918 182.8
[M-H]- 327.087424 179.0
[M+NH4]+ 346.128523 187.4
[M+K]+ 367.057858 182.1
[M+H-H2O]+ 311.091960 164.8
[M+HCOO]- 373.092901 190.1
[M+CH3COO]- 387.108551 184.3
[M+Na-2H]- 349.069366 177.8
[M]+ 328.09415142 181.5
[M]- 328.09524858 181.5
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.