CID 44260099

Lupinalbin d

Structural Information

Molecular Formula
C20H16O6
SMILES
CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)C
InChI
InChI=1S/C20H16O6/c1-9(2)3-4-11-13(22)6-5-12-16-18(24)17-14(23)7-10(21)8-15(17)25-20(16)26-19(11)12/h3,5-8,21-23H,4H2,1-2H3
InChIKey
LYRCFNWWKHICBC-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-7-(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.101976 179.7
[M+Na]+ 375.083918 192.7
[M-H]- 351.087424 186.0
[M+NH4]+ 370.128523 194.0
[M+K]+ 391.057858 189.4
[M+H-H2O]+ 335.091960 174.0
[M+HCOO]- 397.092901 197.1
[M+CH3COO]- 411.108551 191.9
[M+Na-2H]- 373.069366 184.4
[M]+ 352.09415142 188.5
[M]- 352.09524858 188.5
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.