CID 462697

3'-benzyloxy-5,7-dioh-3',4'-dimeo flavone

Structural Information

Molecular Formula
C24H22O7
SMILES
COC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4
InChI
InChI=1S/C24H22O7/c1-28-18-9-8-15(10-19(18)30-13-14-6-4-3-5-7-14)23-24(29-2)22(27)21-17(26)11-16(25)12-20(21)31-23/h3-12,23-26H,13H2,1-2H3
InChIKey
UEMINSSWBUDKSO-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-methoxy-2-(4-methoxy-3-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.13657 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14385 199.5
[M+Na]+ 445.12579 206.7
[M-H]- 421.12929 208.5
[M+NH4]+ 440.17039 207.5
[M+K]+ 461.09973 204.4
[M+H-H2O]+ 405.13383 189.0
[M+HCOO]- 467.13477 215.6
[M+CH3COO]- 481.15042 225.1
[M+Na-2H]- 443.11124 200.9
[M]+ 422.13602 204.0
[M]- 422.13712 204.0
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.