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

2
Patents

356.12598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.133256 181.2
[M+Na]+ 379.115198 192.4
[M-H]- 355.118704 186.2
[M+NH4]+ 374.159803 194.5
[M+K]+ 395.089138 189.6
[M+H-H2O]+ 339.123240 173.8
[M+HCOO]- 401.124181 199.2
[M+CH3COO]- 415.139831 215.1
[M+Na-2H]- 377.100646 184.7
[M]+ 356.12543142 190.1
[M]- 356.12652858 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

patents stripe