CID 14777481

132031-40-4

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)OC)O)OC)C
InChI
InChI=1S/C20H20O6/c1-10(2)5-6-11-14(25-4)9-15-17(18(11)22)19(23)16-12(21)7-8-13(24-3)20(16)26-15/h5,7-9,21-22H,6H2,1-4H3
InChIKey
GRYVOCRJTSCVJS-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 181.2
[M+Na]+ 379.11520 192.4
[M-H]- 355.11870 186.2
[M+NH4]+ 374.15980 194.5
[M+K]+ 395.08914 189.6
[M+H-H2O]+ 339.12324 173.8
[M+HCOO]- 401.12418 199.2
[M+CH3COO]- 415.13983 215.1
[M+Na-2H]- 377.10065 184.7
[M]+ 356.12543 190.1
[M]- 356.12653 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.