CID 10713651

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

Structural Information

Molecular Formula
C18H18O8
SMILES
COC1=CC(=CC(=C1OC)O)C2CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
InChI
InChI=1S/C18H18O8/c1-23-14-5-8(4-10(20)17(14)24-2)12-6-9(19)15-13(26-12)7-11(21)18(25-3)16(15)22/h4-5,7,12,20-22H,6H2,1-3H3
InChIKey
HMTSHCGCQPCGLA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.10016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10744 179.4
[M+Na]+ 385.08938 188.5
[M-H]- 361.09288 185.0
[M+NH4]+ 380.13398 190.3
[M+K]+ 401.06332 187.6
[M+H-H2O]+ 345.09742 171.6
[M+HCOO]- 407.09836 195.1
[M+CH3COO]- 421.11401 212.9
[M+Na-2H]- 383.07483 181.2
[M]+ 362.09961 185.2
[M]- 362.10071 185.2
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

No patent data available for this compound.