CID 5324349

Lupinalbin a

Structural Information

Molecular Formula
C15H8O6
SMILES
C1=CC2=C(C=C1O)OC3=C2C(=O)C4=C(C=C(C=C4O3)O)O
InChI
InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-15-12(8)14(19)13-9(18)3-7(17)5-11(13)21-15/h1-5,16-18H
InChIKey
BBBAWACESCACAP-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

284.03207 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.039346 155.1
[M+Na]+ 307.021288 169.8
[M-H]- 283.024794 161.9
[M+NH4]+ 302.065893 172.2
[M+K]+ 322.995228 167.3
[M+H-H2O]+ 267.029330 150.0
[M+HCOO]- 329.030271 175.3
[M+CH3COO]- 343.045921 169.5
[M+Na-2H]- 305.006736 164.6
[M]+ 284.03152142 163.5
[M]- 284.03261858 163.5
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

patents stripe