CID 54685079

Nsc373944

Structural Information

Molecular Formula
C27H20O9
SMILES
COC1=CC(=CC(=C1O)OC)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C27H20O9/c1-33-18-11-13(12-19(34-2)25(18)30)20(21-23(28)14-7-3-5-9-16(14)35-26(21)31)22-24(29)15-8-4-6-10-17(15)36-27(22)32/h3-12,20,28-30H,1-2H3
InChIKey
HXRVGLDRJRNCBG-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.11072 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.11800 215.9
[M+Na]+ 511.09994 226.0
[M-H]- 487.10344 226.8
[M+NH4]+ 506.14454 220.1
[M+K]+ 527.07388 225.7
[M+H-H2O]+ 471.10798 204.1
[M+HCOO]- 533.10892 231.0
[M+CH3COO]- 547.12457 224.9
[M+Na-2H]- 509.08539 218.9
[M]+ 488.11017 225.2
[M]- 488.11127 225.2
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.