CID 5493672

2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one

Structural Information

Molecular Formula
C18H16O5
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)OC3=CC=CC(=C3C2=O)O)C
InChI
InChI=1S/C18H16O5/c1-9(2)6-7-10-12(20)8-13(21)18-15(10)17(22)16-11(19)4-3-5-14(16)23-18/h3-6,8,19-21H,7H2,1-2H3
InChIKey
DLDSNYULQYVJNR-UHFFFAOYSA-N
Compound name
2,4,8-trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 169.3
[M+Na]+ 335.08898 180.5
[M-H]- 311.09248 173.0
[M+NH4]+ 330.13358 183.6
[M+K]+ 351.06292 176.3
[M+H-H2O]+ 295.09702 162.7
[M+HCOO]- 357.09796 186.4
[M+CH3COO]- 371.11361 203.3
[M+Na-2H]- 333.07443 174.1
[M]+ 312.09921 174.0
[M]- 312.10031 174.0
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.