CID 176457347

3-[(1r)-1-[bis(4-hydroxyphenyl)methyl]-2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]-7-methoxy-chromen-4-one

Structural Information

Molecular Formula
C31H24O8
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)[C@@H](C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C(=O)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C31H24O8/c1-38-22-11-13-24-27(15-22)39-16-25(30(24)36)29(31(37)23-12-10-21(34)14-26(23)35)28(17-2-6-19(32)7-3-17)18-4-8-20(33)9-5-18/h2-16,28-29,32-35H,1H3/t29-/m0/s1
InChIKey
ALFFEGKKCFDEDV-LJAQVGFWSA-N
Compound name
3-[(2R)-1-(2,4-dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.1471 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.15438 224.1
[M+Na]+ 547.13632 228.6
[M-H]- 523.13982 233.4
[M+NH4]+ 542.18092 225.1
[M+K]+ 563.11026 226.4
[M+H-H2O]+ 507.14436 212.2
[M+HCOO]- 569.14530 235.6
[M+CH3COO]- 583.16095 242.2
[M+Na-2H]- 545.12177 222.2
[M]+ 524.14655 226.2
[M]- 524.14765 226.2
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.