CID 274102

Nsc119887

Structural Information

Molecular Formula
C21H16O5
SMILES
C1C2C=CC1C3C2C(=O)OC34C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O
InChI
InChI=1S/C21H16O5/c22-12-3-5-14-16(8-12)25-17-9-13(23)4-6-15(17)21(14)19-11-2-1-10(7-11)18(19)20(24)26-21/h1-6,8-11,18-19,22-23H,7H2
InChIKey
GYMOAPATKMMVSK-UHFFFAOYSA-N
Compound name
3',6'-dihydroxyspiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-5,9'-xanthene]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10704 174.4
[M+Na]+ 371.08898 185.1
[M-H]- 347.09248 182.6
[M+NH4]+ 366.13358 196.1
[M+K]+ 387.06292 180.8
[M+H-H2O]+ 331.09702 171.6
[M+HCOO]- 393.09796 187.5
[M+CH3COO]- 407.11361 186.2
[M+Na-2H]- 369.07443 176.4
[M]+ 348.09921 177.4
[M]- 348.10031 177.4
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.