CID 44257499

Bryacarpene 5

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=CC2=C(C=C1)C3=C(CO2)C4=C(O3)C(=C(C=C4)OC)OC
InChI
InChI=1S/C18H16O5/c1-19-10-4-5-12-15(8-10)22-9-13-11-6-7-14(20-2)18(21-3)17(11)23-16(12)13/h4-8H,9H2,1-3H3
InChIKey
NQKNGQMKVPLTTJ-UHFFFAOYSA-N
Compound name
3,9,10-trimethoxy-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 167.9
[M+Na]+ 335.08898 179.6
[M-H]- 311.09248 176.8
[M+NH4]+ 330.13358 185.5
[M+K]+ 351.06292 178.7
[M+H-H2O]+ 295.09702 161.4
[M+HCOO]- 357.09796 188.4
[M+CH3COO]- 371.11361 181.6
[M+Na-2H]- 333.07443 175.5
[M]+ 312.09921 178.1
[M]- 312.10031 178.1
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.