CID 54688534

7-benzyloxy-4-hydroxy-8-methyl-3-(2-oxochromen-7-yl)oxy-chromen-2-one

Structural Information

Molecular Formula
C26H18O7
SMILES
CC1=C(C=CC2=C1OC(=O)C(=C2O)OC3=CC4=C(C=C3)C=CC(=O)O4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H18O7/c1-15-20(30-14-16-5-3-2-4-6-16)11-10-19-23(28)25(26(29)33-24(15)19)31-18-9-7-17-8-12-22(27)32-21(17)13-18/h2-13,28H,14H2,1H3
InChIKey
FPCSQRIPAKGVHV-UHFFFAOYSA-N
Compound name
4-hydroxy-8-methyl-3-(2-oxochromen-7-yl)oxy-7-phenylmethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.10526 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11254 205.6
[M+Na]+ 465.09448 216.9
[M-H]- 441.09798 218.6
[M+NH4]+ 460.13908 213.0
[M+K]+ 481.06842 214.9
[M+H-H2O]+ 425.10252 193.7
[M+HCOO]- 487.10346 225.1
[M+CH3COO]- 501.11911 216.3
[M+Na-2H]- 463.07993 211.8
[M]+ 442.10471 214.8
[M]- 442.10581 214.8
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.