CID 44257501

Bryacarpene 2

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC2=C(C=C1)C3=C(CO2)C4=CC(=C(C(=C4O3)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-20-9-4-5-10-13(6-9)23-8-12-11-7-14(21-2)18(22-3)15(19)17(11)24-16(10)12/h4-7,19H,8H2,1-3H3
InChIKey
WAKKZAYCWOUZJK-UHFFFAOYSA-N
Compound name
3,8,9-trimethoxy-6H-[1]benzofuro[3,2-c]chromen-10-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]+ 329.10198 171.0
[M+Na]+ 351.08392 182.8
[M-H]- 327.08742 179.0
[M+NH4]+ 346.12852 187.4
[M+K]+ 367.05786 182.1
[M+H-H2O]+ 311.09196 164.8
[M+HCOO]- 373.09290 190.1
[M+CH3COO]- 387.10855 184.3
[M+Na-2H]- 349.06937 177.8
[M]+ 328.09415 181.5
[M]- 328.09525 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.