CID 44259690

5,4'-dihydroxy-3,7,3'-trimethoxy-8-prenylflavone

Structural Information

Molecular Formula
C23H24O7
SMILES
CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)OC)C
InChI
InChI=1S/C23H24O7/c1-12(2)6-8-14-17(27-3)11-16(25)19-20(26)23(29-5)21(30-22(14)19)13-7-9-15(24)18(10-13)28-4/h6-7,9-11,24-25H,8H2,1-5H3
InChIKey
PXSHTLGJABJXLY-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15948 197.2
[M+Na]+ 435.14142 206.6
[M-H]- 411.14492 204.1
[M+NH4]+ 430.18602 206.8
[M+K]+ 451.11536 204.5
[M+H-H2O]+ 395.14946 188.4
[M+HCOO]- 457.15040 214.5
[M+CH3COO]- 471.16605 226.2
[M+Na-2H]- 433.12687 197.0
[M]+ 412.15165 206.1
[M]- 412.15275 206.1
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.