CID 44258234

Luteolin 4'-methyl ether 7-sulfate

Structural Information

Molecular Formula
C16H12O9S
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O
InChI
InChI=1S/C16H12O9S/c1-23-13-3-2-8(4-10(13)17)14-7-12(19)16-11(18)5-9(6-15(16)24-14)25-26(20,21)22/h2-7,17-18H,1H3,(H,20,21,22)
InChIKey
ZNWFVYOKHFFQTD-UHFFFAOYSA-N
Compound name
[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.0202 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.027476 178.1
[M+Na]+ 403.009418 188.0
[M-H]- 379.012924 183.9
[M+NH4]+ 398.054023 188.0
[M+K]+ 418.983358 186.3
[M+H-H2O]+ 363.017460 170.9
[M+HCOO]- 425.018401 191.6
[M+CH3COO]- 439.034051 208.9
[M+Na-2H]- 400.994866 183.8
[M]+ 380.01965142 186.7
[M]- 380.02074858 186.7
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.