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 214.4
[M+Na]+ 453.12282 230.9
[M-H]- 429.12632 229.9
[M+NH4]+ 448.16742 230.5
[M+K]+ 469.09676 220.6
[M+H-H2O]+ 413.13086 213.2
[M+HCOO]- 475.13180 232.6
[M+CH3COO]- 489.14745 231.2
[M+Na-2H]- 451.10827 209.6
[M]+ 430.13305 207.8
[M]- 430.13415 207.8
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