CID 44259689

5,4'-dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCOC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)C
InChI
InChI=1S/C22H22O7/c1-12(2)7-8-28-14-10-16(24)19-18(11-14)29-21(22(27-4)20(19)25)13-5-6-15(23)17(9-13)26-3/h5-7,9-11,23-24H,8H2,1-4H3
InChIKey
SOFOHQOMTJOUFP-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13657 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.143846 192.6
[M+Na]+ 421.125788 201.7
[M-H]- 397.129294 199.4
[M+NH4]+ 416.170393 202.6
[M+K]+ 437.099728 199.6
[M+H-H2O]+ 381.133830 183.9
[M+HCOO]- 443.134771 210.4
[M+CH3COO]- 457.150421 221.8
[M+Na-2H]- 419.111236 193.7
[M]+ 398.13602142 200.9
[M]- 398.13711858 200.9
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.