CID 4475723

Lucuminoside

Structural Information

Molecular Formula
C19H25NO10
SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O
InChI
InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2
InChIKey
YYYCJNDALLBNEG-UHFFFAOYSA-N
Compound name
2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

159
Patents

427.14786 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.155136 193.7
[M+Na]+ 450.137078 198.3
[M-H]- 426.140584 195.2
[M+NH4]+ 445.181683 196.0
[M+K]+ 466.111018 197.3
[M+H-H2O]+ 410.145120 179.8
[M+HCOO]- 472.146061 197.2
[M+CH3COO]- 486.161711 225.9
[M+Na-2H]- 448.122526 190.6
[M]+ 427.14731142 186.2
[M]- 427.14840858 186.2
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