CID 15380425

5,7,8-trimethoxyflavanone

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C18H18O5/c1-20-14-10-15(21-2)17(22-3)18-16(14)12(19)9-13(23-18)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKey
CQNKQOFKXLLWRE-UHFFFAOYSA-N
Compound name
5,7,8-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 170.3
[M+Na]+ 337.10464 179.0
[M-H]- 313.10814 179.0
[M+NH4]+ 332.14924 184.8
[M+K]+ 353.07858 177.7
[M+H-H2O]+ 297.11268 161.9
[M+HCOO]- 359.11362 190.3
[M+CH3COO]- 373.12927 208.1
[M+Na-2H]- 335.09009 174.8
[M]+ 314.11487 175.7
[M]- 314.11597 175.7
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.