CID 44259046

8-c-p-hydroxybenzylkaempferol

Structural Information

Molecular Formula
C22H16O7
SMILES
C1=CC(=CC=C1CC2=C3C(=C(C=C2O)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C22H16O7/c23-13-5-1-11(2-6-13)9-15-16(25)10-17(26)18-19(27)20(28)21(29-22(15)18)12-3-7-14(24)8-4-12/h1-8,10,23-26,28H,9H2
InChIKey
BFFYUNVGUBDLOC-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.0896 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09688 190.7
[M+Na]+ 415.07882 200.4
[M-H]- 391.08232 197.4
[M+NH4]+ 410.12342 198.5
[M+K]+ 431.05276 196.2
[M+H-H2O]+ 375.08686 181.6
[M+HCOO]- 437.08780 205.8
[M+CH3COO]- 451.10345 200.1
[M+Na-2H]- 413.06427 193.0
[M]+ 392.08905 192.9
[M]- 392.09015 192.9
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

patents stripe