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]+ 318.10978 173.0
[M+Na]+ 340.09172 181.7
[M-H]- 316.09522 178.7
[M+NH4]+ 335.13632 185.2
[M+K]+ 356.06566 173.8
[M+H-H2O]+ 300.09976 168.1
[M+HCOO]- 362.10070 189.7
[M+CH3COO]- 376.11635 195.2
[M+Na-2H]- 338.07717 179.4
[M]+ 317.10195 175.4
[M]- 317.10305 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.