CID 44257599

3',5,6-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)OC)OC
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-5-11(9-12)16-10-13(19)17-14(23-16)7-8-15(21-2)18(17)22-3/h4-10H,1-3H3
InChIKey
XRARMLJTDKCRRO-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2-(3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 168.9
[M+Na]+ 335.08898 179.6
[M-H]- 311.09248 178.4
[M+NH4]+ 330.13358 183.8
[M+K]+ 351.06292 178.1
[M+H-H2O]+ 295.09702 160.4
[M+HCOO]- 357.09796 191.8
[M+CH3COO]- 371.11361 207.5
[M+Na-2H]- 333.07443 175.2
[M]+ 312.09921 177.1
[M]- 312.10031 177.1
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.