CID 16196978

8-hydroxy-5,7-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=C(C2=C1C(=O)CC(O2)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C17H16O5/c1-20-13-9-14(21-2)16(19)17-15(13)11(18)8-12(22-17)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3
InChIKey
TVWVHFSJQNXIRZ-UHFFFAOYSA-N
Compound name
8-hydroxy-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

300.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.0
[M+Na]+ 323.08898 174.7
[M-H]- 299.09248 173.5
[M+NH4]+ 318.13358 180.4
[M+K]+ 339.06292 172.8
[M+H-H2O]+ 283.09702 158.1
[M+HCOO]- 345.09796 184.9
[M+CH3COO]- 359.11361 202.8
[M+Na-2H]- 321.07443 170.6
[M]+ 300.09921 169.3
[M]- 300.10031 169.3
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