CID 14309761

Lupinalbin b

Structural Information

Molecular Formula
C20H16O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(O3)C=C(C=C4)O)O)C
InChI
InChI=1S/C20H16O6/c1-9(2)3-5-11-13(22)8-15-17(18(11)23)19(24)16-12-6-4-10(21)7-14(12)25-20(16)26-15/h3-4,6-8,21-23H,5H2,1-2H3
InChIKey
NOYRXEKDLRHOOL-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-2-(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]+ 353.10198 179.7
[M+Na]+ 375.08392 192.7
[M-H]- 351.08742 186.0
[M+NH4]+ 370.12852 194.0
[M+K]+ 391.05786 189.4
[M+H-H2O]+ 335.09196 174.0
[M+HCOO]- 397.09290 197.1
[M+CH3COO]- 411.10855 191.9
[M+Na-2H]- 373.06937 184.4
[M]+ 352.09415 188.5
[M]- 352.09525 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.