CID 4484591

Lusitanicoside

Structural Information

Molecular Formula
C21H30O10
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC=C)O)O)O)O)O)O
InChI
InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3
InChIKey
DAELTTGCCPRYTP-UHFFFAOYSA-N
Compound name
2-methyl-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

6
Patents

442.1839 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.191176 204.6
[M+Na]+ 465.173118 207.3
[M-H]- 441.176624 207.3
[M+NH4]+ 460.217723 207.1
[M+K]+ 481.147058 206.9
[M+H-H2O]+ 425.181160 196.1
[M+HCOO]- 487.182101 209.8
[M+CH3COO]- 501.197751 223.4
[M+Na-2H]- 463.158566 199.6
[M]+ 442.18335142 203.3
[M]- 442.18444858 203.3
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.