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

2
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

patents stripe