CID 26369045

Ns00116784

Structural Information

Molecular Formula
C21H14O5
SMILES
COC1=CC2=C(C=C1)[C@]3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3/t21-/m1/s1
InChIKey
KDXNYSZNOWTPLE-OAQYLSRUSA-N
Compound name
(3R)-3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09142 177.8
[M+Na]+ 369.07336 194.2
[M+NH4]+ 364.11796 188.5
[M+K]+ 385.04730 186.4
[M-H]- 345.07686 185.2
[M+Na-2H]- 367.05881 183.6
[M]+ 346.08359 182.7
[M]- 346.08469 182.7
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.