CID 482576

4'-o-methyltaxifolin

Structural Information

Molecular Formula
C16H14O7
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
InChIKey
KQNGHARGJDXHKF-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5175
Patents

318.07394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 169.4
[M+Na]+ 341.06316 182.5
[M+NH4]+ 336.10776 175.1
[M+K]+ 357.03710 178.7
[M-H]- 317.06666 172.3
[M+Na-2H]- 339.04861 172.5
[M]+ 318.07339 171.9
[M]- 318.07449 171.9
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