CID 44257505

Bryacarpene 1

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C2=C(C=C1)C3=C(CO2)C4=CC(=C(C(=C4O3)O)OC)OC)O
InChI
InChI=1S/C18H16O7/c1-21-11-5-4-8-15-10(7-24-16(8)13(11)19)9-6-12(22-2)18(23-3)14(20)17(9)25-15/h4-6,19-20H,7H2,1-3H3
InChIKey
MICWLBUZXFKDEE-UHFFFAOYSA-N
Compound name
3,8,9-trimethoxy-6H-[1]benzofuro[3,2-c]chromene-4,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 174.1
[M+Na]+ 367.07882 186.0
[M-H]- 343.08232 181.1
[M+NH4]+ 362.12342 189.3
[M+K]+ 383.05276 185.4
[M+H-H2O]+ 327.08686 168.2
[M+HCOO]- 389.08780 191.7
[M+CH3COO]- 403.10345 186.8
[M+Na-2H]- 365.06427 180.2
[M]+ 344.08905 184.8
[M]- 344.09015 184.8
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.