CID 44257503

Bryacarpene 3

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=CC2=C(C=C1)C3=C(CO2)C4=CC(=C(C(=C4O3)OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-20-10-5-6-11-14(7-10)24-9-13-12-8-15(21-2)18(22-3)19(23-4)17(12)25-16(11)13/h5-8H,9H2,1-4H3
InChIKey
POIDJPZIKAENEO-UHFFFAOYSA-N
Compound name
3,8,9,10-tetramethoxy-6H-[1]benzofuro[3,2-c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 175.9
[M+Na]+ 365.09957 187.6
[M-H]- 341.10307 185.0
[M+NH4]+ 360.14417 192.4
[M+K]+ 381.07351 187.5
[M+H-H2O]+ 325.10761 169.1
[M+HCOO]- 387.10855 196.0
[M+CH3COO]- 401.12420 189.3
[M+Na-2H]- 363.08502 182.4
[M]+ 342.10980 188.3
[M]- 342.11090 188.3
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.