CID 54731641

6-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)phenoxy]-2,5-dihydroxy-7-methoxy-chromen-4-one

Structural Information

Molecular Formula
C25H16O10
SMILES
COC1=C(C(=C2C(=CC(=O)OC2=C1)O)O)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O
InChI
InChI=1S/C25H16O10/c1-32-20-10-19-23(16(29)9-21(30)35-19)24(31)25(20)33-13-4-2-11(3-5-13)17-8-15(28)22-14(27)6-12(26)7-18(22)34-17/h2-10,26-27,29,31H,1H3
InChIKey
LIOWMAULVGQGQT-UHFFFAOYSA-N
Compound name
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

476.07434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08162 210.4
[M+Na]+ 499.06356 221.8
[M-H]- 475.06706 220.8
[M+NH4]+ 494.10816 214.7
[M+K]+ 515.03750 221.6
[M+H-H2O]+ 459.07160 198.9
[M+HCOO]- 521.07254 225.8
[M+CH3COO]- 535.08819 219.8
[M+Na-2H]- 497.04901 214.7
[M]+ 476.07379 220.0
[M]- 476.07489 220.0
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.