CID 11495687

98924-81-3

Structural Information

Molecular Formula
C16H22N4O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13-,14-,15-,16?/m1/s1
InChIKey
HGMISDAXLUIXKM-ALTVCHKUSA-N
Compound name
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

430.1336 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14088 193.3
[M+Na]+ 453.12282 200.3
[M+NH4]+ 448.16742 202.6
[M+K]+ 469.09676 209.7
[M-H]- 429.12632 190.1
[M+Na-2H]- 451.10827 190.0
[M]+ 430.13305 195.9
[M]- 430.13415 195.9
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

patents stripe