CID 90658793

2'-hydroxy 3,6,7,4'-tetramethylquercetagetin

Structural Information

Molecular Formula
C19H18O9
SMILES
COC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O)O
InChI
InChI=1S/C19H18O9/c1-24-9-6-5-8(13(20)14(9)21)17-19(27-4)16(23)12-10(28-17)7-11(25-2)18(26-3)15(12)22/h5-7,20-22H,1-4H3
InChIKey
JUMXNPKEKATCOD-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.0951 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.102376 185.4
[M+Na]+ 413.084318 196.3
[M-H]- 389.087824 191.9
[M+NH4]+ 408.128923 195.3
[M+K]+ 429.058258 196.1
[M+H-H2O]+ 373.092360 176.9
[M+HCOO]- 435.093301 203.6
[M+CH3COO]- 449.108951 219.0
[M+Na-2H]- 411.069766 187.7
[M]+ 390.09455142 196.0
[M]- 390.09564858 196.0
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.