CID 54676523

10172-75-5

Structural Information

Molecular Formula
C26H18O7
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3
InChIKey
CMEFNVYVKZNNGL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

442.10526 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11254 205.0
[M+Na]+ 465.09448 215.4
[M-H]- 441.09798 216.8
[M+NH4]+ 460.13908 211.6
[M+K]+ 481.06842 213.4
[M+H-H2O]+ 425.10252 193.7
[M+HCOO]- 487.10346 222.0
[M+CH3COO]- 501.11911 215.0
[M+Na-2H]- 463.07993 209.9
[M]+ 442.10471 212.1
[M]- 442.10581 212.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.