CID 487654

Cj-12,372

Structural Information

Molecular Formula
C20H16O5
SMILES
C1CC2(C3=C(C=CC(=C3[C@H]1O)O)O)OC4=CC=CC5=C4C(=CC=C5)O2
InChI
InChI=1S/C20H16O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-8,13,21-23H,9-10H2/t13-/m0/s1
InChIKey
ALYLMNAEGJISEJ-ZDUSSCGKSA-N
Compound name
(5'S)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,8'-6,7-dihydro-5H-naphthalene]-1',4',5'-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 176.4
[M+Na]+ 359.08898 192.0
[M+NH4]+ 354.13358 187.0
[M+K]+ 375.06292 183.0
[M-H]- 335.09248 183.1
[M+Na-2H]- 357.07443 181.0
[M]+ 336.09921 180.9
[M]- 336.10031 180.9
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.