CID 44259769

8-c-methyl-6-hydroxykaempferol 3,6,7-trimethyl ether

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1=C2C(=C(C(=C1OC)OC)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C19H18O7/c1-9-15-12(13(21)18(24-3)16(9)23-2)14(22)19(25-4)17(26-15)10-5-7-11(20)8-6-10/h5-8,20-21H,1-4H3
InChIKey
AXCXIPWOLDUSPI-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-8-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.0
[M+Na]+ 381.09448 191.3
[M-H]- 357.09798 187.6
[M+NH4]+ 376.13908 192.1
[M+K]+ 397.06842 189.9
[M+H-H2O]+ 341.10252 171.8
[M+HCOO]- 403.10346 199.6
[M+CH3COO]- 417.11911 214.7
[M+Na-2H]- 379.07993 183.1
[M]+ 358.10471 189.1
[M]- 358.10581 189.1
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.