CID 131752169

2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4h-1-benzopyran]-4,4'-dione

Structural Information

Molecular Formula
C24H16O9
SMILES
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC=CC5=O)O)O)O
InChI
InChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H
InChIKey
WNBLZPGLZHQKPS-UHFFFAOYSA-N
Compound name
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

448.07944 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08672 203.8
[M+Na]+ 471.06866 213.0
[M-H]- 447.07216 211.9
[M+NH4]+ 466.11326 208.5
[M+K]+ 487.04260 211.4
[M+H-H2O]+ 431.07670 193.6
[M+HCOO]- 493.07764 214.0
[M+CH3COO]- 507.09329 212.0
[M+Na-2H]- 469.05411 205.7
[M]+ 448.07889 206.4
[M]- 448.07999 206.4
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

patents stripe