CID 14016780

Luteolin 7-sulfate

Structural Information

Molecular Formula
C15H10O9S
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O
InChI
InChI=1S/C15H10O9S/c16-9-2-1-7(3-10(9)17)13-6-12(19)15-11(18)4-8(5-14(15)23-13)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
InChIKey
NTLSJCCPWSJISD-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

10
Patents

366.00455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01183 173.8
[M+Na]+ 388.99377 183.7
[M-H]- 364.99727 178.4
[M+NH4]+ 384.03837 183.6
[M+K]+ 404.96771 181.3
[M+H-H2O]+ 349.00181 167.0
[M+HCOO]- 411.00275 186.1
[M+CH3COO]- 425.01840 204.1
[M+Na-2H]- 386.97922 179.6
[M]+ 366.00400 180.4
[M]- 366.00510 180.4
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

patents stripe