CID 5482156

3',4'-di-o-benzyl-3,7-di-o-methylquercetin

Structural Information

Molecular Formula
C31H26O7
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI
InChI=1S/C31H26O7/c1-34-23-16-24(32)28-27(17-23)38-30(31(35-2)29(28)33)22-13-14-25(36-18-20-9-5-3-6-10-20)26(15-22)37-19-21-11-7-4-8-12-21/h3-17,32H,18-19H2,1-2H3
InChIKey
YFEQOVKEWFBRLO-UHFFFAOYSA-N
Compound name
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.16785 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.17513 226.6
[M+Na]+ 533.15707 233.7
[M-H]- 509.16057 239.6
[M+NH4]+ 528.20167 230.7
[M+K]+ 549.13101 230.8
[M+H-H2O]+ 493.16511 212.8
[M+HCOO]- 555.16605 245.0
[M+CH3COO]- 569.18170 234.5
[M+Na-2H]- 531.14252 228.1
[M]+ 510.16730 234.2
[M]- 510.16840 234.2
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.