CID 44257452

Fruticarpin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=C(C=C(C=C4O3)OC)O
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-11-14(6-9)21-8-12-16-13(18)5-10(20-2)7-15(16)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3
InChIKey
DJXCJBFCXJKLIJ-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 164.2
[M+Na]+ 323.08898 173.9
[M-H]- 299.09248 171.1
[M+NH4]+ 318.13358 181.4
[M+K]+ 339.06292 172.6
[M+H-H2O]+ 283.09702 158.3
[M+HCOO]- 345.09796 180.7
[M+CH3COO]- 359.11361 176.7
[M+Na-2H]- 321.07443 170.3
[M]+ 300.09921 169.6
[M]- 300.10031 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe