CID 15127377

1,4,5-trihydroxy-3-prenylxanthone

Structural Information

Molecular Formula
C18H16O5
SMILES
CC(=CCC1=CC(=C2C(=C1O)OC3=C(C2=O)C=CC=C3O)O)C
InChI
InChI=1S/C18H16O5/c1-9(2)6-7-10-8-13(20)14-16(22)11-4-3-5-12(19)17(11)23-18(14)15(10)21/h3-6,8,19-21H,7H2,1-2H3
InChIKey
BRVVGOBMRRGKCK-UHFFFAOYSA-N
Compound name
1,4,5-trihydroxy-3-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.09976 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 169.7
[M+Na]+ 335.08898 185.1
[M+NH4]+ 330.13358 176.5
[M+K]+ 351.06292 179.1
[M-H]- 311.09248 172.5
[M+Na-2H]- 333.07443 173.5
[M]+ 312.09921 172.8
[M]- 312.10031 172.8
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.