CID 42608015

5,7,3'-trihydroxy-4',5'-dimethoxy-6,8-di-c-methylflavanone

Structural Information

Molecular Formula
C19H20O7
SMILES
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)O)C)O
InChI
InChI=1S/C19H20O7/c1-8-16(22)9(2)18-15(17(8)23)11(20)7-13(26-18)10-5-12(21)19(25-4)14(6-10)24-3/h5-6,13,21-23H,7H2,1-4H3
InChIKey
KBHNNERSMMYNCG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1209 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 181.8
[M+Na]+ 383.11012 191.6
[M-H]- 359.11362 187.7
[M+NH4]+ 378.15472 193.2
[M+K]+ 399.08406 189.8
[M+H-H2O]+ 343.11816 174.4
[M+HCOO]- 405.11910 197.0
[M+CH3COO]- 419.13475 214.9
[M+Na-2H]- 381.09557 182.1
[M]+ 360.12035 186.9
[M]- 360.12145 186.9
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

No patent data available for this compound.