CID 14353450

6,8-di-c-methylkaempferol 3,7-dimethyl ether

Structural Information

Molecular Formula
C19H18O6
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C19H18O6/c1-9-14(21)13-15(22)19(24-4)18(11-5-7-12(20)8-6-11)25-17(13)10(2)16(9)23-3/h5-8,20-21H,1-4H3
InChIKey
PCRPRSKMNFYFSI-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 177.3
[M+Na]+ 365.09957 189.0
[M-H]- 341.10307 185.0
[M+NH4]+ 360.14417 190.2
[M+K]+ 381.07351 186.7
[M+H-H2O]+ 325.10761 169.4
[M+HCOO]- 387.10855 196.8
[M+CH3COO]- 401.12420 212.4
[M+Na-2H]- 363.08502 180.2
[M]+ 342.10980 185.0
[M]- 342.11090 185.0
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

No patent data available for this compound.