CID 13871369

5,3'-dihydroxy-7,8,4'-trimethoxyflavanone

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
InChI
InChI=1S/C18H18O7/c1-22-13-5-4-9(6-10(13)19)14-7-11(20)16-12(21)8-15(23-2)17(24-3)18(16)25-14/h4-6,8,14,19,21H,7H2,1-3H3
InChIKey
MMTSVOIHKKKIHX-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

346.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 176.4
[M+Na]+ 369.09448 185.4
[M-H]- 345.09798 183.1
[M+NH4]+ 364.13908 188.5
[M+K]+ 385.06842 184.3
[M+H-H2O]+ 329.10252 168.5
[M+HCOO]- 391.10346 193.6
[M+CH3COO]- 405.11911 211.0
[M+Na-2H]- 367.07993 179.1
[M]+ 346.10471 182.0
[M]- 346.10581 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe