CID 44259866

8-c-methylquercetagetin 3,6,3'-trimethyl ether

Structural Information

Molecular Formula
C19H18O8
SMILES
CC1=C(C(=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)OC)O
InChI
InChI=1S/C19H18O8/c1-8-13(21)18(25-3)14(22)12-15(23)19(26-4)17(27-16(8)12)9-5-6-10(20)11(7-9)24-2/h5-7,20-22H,1-4H3
InChIKey
LKMJVLAOXQAMCD-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-8-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10016 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 183.2
[M+Na]+ 397.08938 194.5
[M-H]- 373.09288 189.7
[M+NH4]+ 392.13398 193.9
[M+K]+ 413.06332 193.3
[M+H-H2O]+ 357.09742 175.0
[M+HCOO]- 419.09836 201.2
[M+CH3COO]- 433.11401 216.6
[M+Na-2H]- 395.07483 185.3
[M]+ 374.09961 192.4
[M]- 374.10071 192.4
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.