CID 304248

Nsc195190

Structural Information

Molecular Formula
C20H20O6
SMILES
CC1C(C2=C(O1)C3=C4C(=C2O)C(=CC(=O)C4=C(C(=C3O)O)OC)C)(C)C
InChI
InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)15(22)14-18(26-8(2)20(14,3)4)13(12)16(23)17(24)19(11)25-5/h6,8,22-24H,1-5H3
InChIKey
RFUGLBPILINWDW-UHFFFAOYSA-N
Compound name
1,2,7-trihydroxy-3-methoxy-6,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.133256 181.1
[M+Na]+ 379.115198 193.4
[M-H]- 355.118704 185.4
[M+NH4]+ 374.159803 199.3
[M+K]+ 395.089138 190.1
[M+H-H2O]+ 339.123240 176.7
[M+HCOO]- 401.124181 194.2
[M+CH3COO]- 415.139831 217.0
[M+Na-2H]- 377.100646 183.2
[M]+ 356.12543142 188.5
[M]- 356.12652858 188.5
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

No patent data available for this compound.