CID 13963770

5-hydroxy-7,8-dimethoxyflavanone

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)OC
InChI
InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3
InChIKey
VPGMCCIECGDASG-UHFFFAOYSA-N
Compound name
5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

300.09976 Da
Monoisotopic Mass

3.0
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