CID 54695479

Nsc686383

Structural Information

Molecular Formula
C31H20O6
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O
InChI
InChI=1S/C31H20O6/c32-28-21-10-4-6-12-23(21)36-30(34)26(28)25(20-16-14-19(15-17-20)18-8-2-1-3-9-18)27-29(33)22-11-5-7-13-24(22)37-31(27)35/h1-17,25,32-33H
InChIKey
QTIUFAAOBONXEO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-phenylphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

488.12598 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13326 220.1
[M+Na]+ 511.11520 229.4
[M-H]- 487.11870 234.0
[M+NH4]+ 506.15980 223.9
[M+K]+ 527.08914 225.8
[M+H-H2O]+ 471.12324 206.9
[M+HCOO]- 533.12418 235.9
[M+CH3COO]- 547.13983 228.4
[M+Na-2H]- 509.10065 223.9
[M]+ 488.12543 224.1
[M]- 488.12653 224.1
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.