CID 13871373

5,3'-dihydroxy-6,7,4'-trimethoxyflavanone

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
InChI
InChI=1S/C18H18O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-6,8,13,19,21H,7H2,1-3H3
InChIKey
PSQNZFFDWLQECV-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
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

literature stripe

Patent stripe

patents stripe