CID 129560834

85339-16-8

Structural Information

Molecular Formula
C18H25NO12
SMILES
CC(=O)N([C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H25NO12/c1-8(20)19(31-13(6)25)18-17(29-12(5)24)16(28-11(4)23)15(30-18)14(27-10(3)22)7-26-9(2)21/h14-18H,7H2,1-6H3/t14-,15+,16+,17-,18-/m1/s1
InChIKey
OXVAOHAXVTZPPA-DISONHOPSA-N
Compound name
[(2R)-2-[(2S,3S,4R,5R)-5-[acetyl(acetyloxy)amino]-3,4-diacetyloxyoxolan-2-yl]-2-acetyloxyethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.13766 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.14494 212.3
[M+Na]+ 470.12688 228.4
[M-H]- 446.13038 226.5
[M+NH4]+ 465.17148 234.7
[M+K]+ 486.10082 219.6
[M+H-H2O]+ 430.13492 185.1
[M+HCOO]- 492.13586 223.1
[M+CH3COO]- 506.15151 234.1
[M+Na-2H]- 468.11233 184.3
[M]+ 447.13711 215.7
[M]- 447.13821 215.7
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.