CID 5482155

3',4'-di-o-benzyl-3-o-methylquercetin

Structural Information

Molecular Formula
C30H24O7
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C30H24O7/c1-34-30-28(33)27-23(32)15-22(31)16-26(27)37-29(30)21-12-13-24(35-17-19-8-4-2-5-9-19)25(14-21)36-18-20-10-6-3-7-11-20/h2-16,31-32H,17-18H2,1H3
InChIKey
KIIOHWNYIVUODO-UHFFFAOYSA-N
Compound name
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

496.1522 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.15948 221.5
[M+Na]+ 519.14142 228.7
[M-H]- 495.14492 233.4
[M+NH4]+ 514.18602 225.6
[M+K]+ 535.11536 225.2
[M+H-H2O]+ 479.14946 208.4
[M+HCOO]- 541.15040 238.9
[M+CH3COO]- 555.16605 229.3
[M+Na-2H]- 517.12687 223.3
[M]+ 496.15165 227.3
[M]- 496.15275 227.3
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.