CID 44259915

3-hydroxy-5,7,8-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC=CC=C3)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-21-11-9-12(22-2)17(23-3)18-13(11)14(19)15(20)16(24-18)10-7-5-4-6-8-10/h4-9,20H,1-3H3
InChIKey
WAWJFYVZZGEXBU-UHFFFAOYSA-N
Compound name
3-hydroxy-5,7,8-trimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.1
[M+Na]+ 351.083918 183.0
[M-H]- 327.087424 180.6
[M+NH4]+ 346.128523 185.7
[M+K]+ 367.057858 181.5
[M+H-H2O]+ 311.091960 163.8
[M+HCOO]- 373.092901 193.6
[M+CH3COO]- 387.108551 208.8
[M+Na-2H]- 349.069366 177.4
[M]+ 328.09415142 180.4
[M]- 328.09524858 180.4
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