CID 44260032

Gossypetin 3-o-sulfate

Structural Information

Molecular Formula
C15H10O11S
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)OS(=O)(=O)O)O)O
InChI
InChI=1S/C15H10O11S/c16-6-2-1-5(3-7(6)17)13-15(26-27(22,23)24)12(21)10-8(18)4-9(19)11(20)14(10)25-13/h1-4,16-20H,(H,22,23,24)
InChIKey
DKWTYAUCZMJXTJ-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4-oxochromen-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.9944 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00168 179.1
[M+Na]+ 420.98362 188.3
[M-H]- 396.98712 181.3
[M+NH4]+ 416.02822 186.1
[M+K]+ 436.95756 186.7
[M+H-H2O]+ 380.99166 172.3
[M+HCOO]- 442.99260 188.3
[M+CH3COO]- 457.00825 208.9
[M+Na-2H]- 418.96907 183.7
[M]+ 397.99385 185.8
[M]- 397.99495 185.8
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.