CID 487973

3-3''-bi-(7-methoxyflavanone)

Structural Information

Molecular Formula
C32H24O6
SMILES
COC1=CC2=C(C=C1)C(=O)C(C(O2)C3=CC=CC=C3)C4=C(OC5=C(C4=O)C=CC(=C5)OC)C6=CC=CC=C6
InChI
InChI=1S/C32H24O6/c1-35-21-13-15-23-25(17-21)37-31(19-9-5-3-6-10-19)27(29(23)33)28-30(34)24-16-14-22(36-2)18-26(24)38-32(28)20-11-7-4-8-12-20/h3-18,27,31H,1-2H3
InChIKey
ADXRPQNMJWCXRN-UHFFFAOYSA-N
Compound name
7-methoxy-3-(7-methoxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

504.1573 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.16458 226.8
[M+Na]+ 527.14652 234.9
[M-H]- 503.15002 242.1
[M+NH4]+ 522.19112 231.3
[M+K]+ 543.12046 232.2
[M+H-H2O]+ 487.15456 212.5
[M+HCOO]- 549.15550 242.0
[M+CH3COO]- 563.17115 234.9
[M+Na-2H]- 525.13197 228.1
[M]+ 504.15675 231.1
[M]- 504.15785 231.1
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.