CID 243759

4'-hydroxy-5,6,7-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3
InChIKey
PJRWXHDCKWSIRU-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-5,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

328.0947 Da
Monoisotopic Mass

1.8
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