CID 90476770

85339-15-7

Structural Information

Molecular Formula
C18H25NO12
SMILES
CC(=O)N([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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(27-10(3)22)14(30-18)7-26-9(2)21/h14-18H,7H2,1-6H3/t14-,15+,16+,17-,18-/m1/s1
InChIKey
YXQZXMNFNOMHIH-DISONHOPSA-N
Compound name
[(2R,3S,4S,5R,6R)-6-[acetyl(acetyloxy)amino]-3,4,5-triacetyloxyoxan-2-yl]methyl 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 188.3
[M+Na]+ 470.12688 224.8
[M-H]- 446.13038 224.3
[M+NH4]+ 465.17148 231.4
[M+K]+ 486.10082 197.7
[M+H-H2O]+ 430.13492 181.5
[M+HCOO]- 492.13586 225.6
[M+CH3COO]- 506.15151 235.6
[M+Na-2H]- 468.11233 183.1
[M]+ 447.13711 213.3
[M]- 447.13821 213.3
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.