CID 1849

6,8-diprenylkaempferol

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-11-17-20(27)18(12-6-14(3)4)25-19(21(17)28)22(29)23(30)24(31-25)15-7-9-16(26)10-8-15/h5-10,26-28,30H,11-12H2,1-4H3
InChIKey
HKKPHUAEOHCSKC-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

422.17294 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.180216 203.0
[M+Na]+ 445.162158 211.0
[M-H]- 421.165664 206.9
[M+NH4]+ 440.206763 210.8
[M+K]+ 461.136098 206.2
[M+H-H2O]+ 405.170200 195.1
[M+HCOO]- 467.171141 215.6
[M+CH3COO]- 481.186791 225.5
[M+Na-2H]- 443.147606 199.5
[M]+ 422.17239142 206.3
[M]- 422.17348858 206.3
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.