CID 44257043

5,4'-dimethyl-6-hydroxyluteolinidin

Structural Information

Molecular Formula
C17H17O6
SMILES
COC1=C(C=C(C=C1)C2=[O+]C3=CC(C(=C(C3C=C2)OC)O)O)O
InChI
InChI=1S/C17H16O6/c1-21-14-5-3-9(7-11(14)18)13-6-4-10-15(23-13)8-12(19)16(20)17(10)22-2/h3-8,10,12,19H,1-2H3,(H-,18,20)/p+1
InChIKey
PAGRNMMUPDJJNK-UHFFFAOYSA-O
Compound name
2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4a,7-dihydrochromen-1-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1025 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.109776 173.0
[M+Na]+ 340.091718 181.7
[M-H]- 316.095224 178.7
[M+NH4]+ 335.136323 185.2
[M+K]+ 356.065658 173.8
[M+H-H2O]+ 300.099760 168.1
[M+HCOO]- 362.100701 189.7
[M+CH3COO]- 376.116351 195.2
[M+Na-2H]- 338.077166 179.4
[M]+ 317.10195142 175.4
[M]- 317.10304858 175.4
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.