CID 44259325

8-p-hydroxybenzylquercetin

Structural Information

Molecular Formula
C22H16O8
SMILES
C1=CC(=CC=C1CC2=C3C(=C(C=C2O)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)O
InChI
InChI=1S/C22H16O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,23-27,29H,7H2
InChIKey
WSVMVVOOYCCXOK-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09178 194.2
[M+Na]+ 431.07372 203.7
[M-H]- 407.07722 199.9
[M+NH4]+ 426.11832 200.6
[M+K]+ 447.04766 200.0
[M+H-H2O]+ 391.08176 185.1
[M+HCOO]- 453.08270 207.7
[M+CH3COO]- 467.09835 216.7
[M+Na-2H]- 429.05917 195.5
[M]+ 408.08395 196.5
[M]- 408.08505 196.5
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.