CID 5482161

3',4'-di-o-benzyl-7-o-(2-hydroxyethyl)-3-o-methylquercetin

Structural Information

Molecular Formula
C32H28O8
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)OCCO)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C32H28O8/c1-36-32-30(35)29-25(34)17-24(37-15-14-33)18-28(29)40-31(32)23-12-13-26(38-19-21-8-4-2-5-9-21)27(16-23)39-20-22-10-6-3-7-11-22/h2-13,16-18,33-34H,14-15,19-20H2,1H3
InChIKey
QKQXQFANJRWWPR-UHFFFAOYSA-N
Compound name
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

540.1784 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.18568 232.3
[M+Na]+ 563.16762 238.0
[M-H]- 539.17112 243.7
[M+NH4]+ 558.21222 234.3
[M+K]+ 579.14156 235.3
[M+H-H2O]+ 523.17566 218.3
[M+HCOO]- 585.17660 248.9
[M+CH3COO]- 599.19225 245.9
[M+Na-2H]- 561.15307 233.3
[M]+ 540.17785 239.9
[M]- 540.17895 239.9
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.