CID 54679390

Nsc686392

Structural Information

Molecular Formula
C26H18O8
SMILES
COC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O
InChI
InChI=1S/C26H18O8/c1-32-19-12-13(10-11-16(19)27)20(21-23(28)14-6-2-4-8-17(14)33-25(21)30)22-24(29)15-7-3-5-9-18(15)34-26(22)31/h2-12,20,27-29H,1H3
InChIKey
SSUJVYSOEKAFBV-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

458.10016 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.10744 208.2
[M+Na]+ 481.08938 218.5
[M-H]- 457.09288 218.9
[M+NH4]+ 476.13398 213.5
[M+K]+ 497.06332 217.0
[M+H-H2O]+ 441.09742 196.9
[M+HCOO]- 503.09836 223.7
[M+CH3COO]- 517.11401 217.5
[M+Na-2H]- 479.07483 212.2
[M]+ 458.09961 215.4
[M]- 458.10071 215.4
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.