CID 10884211

142072-11-5

Structural Information

Molecular Formula
C16H24N4O9
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H24N4O9/c1-8(21)19-13-15(28-11(4)24)14(27-10(3)23)12(7-26-9(2)22)29-16(13)25-6-5-18-20-17/h12-16H,5-7H2,1-4H3,(H,19,21)/t12-,13-,14-,15-,16-/m1/s1
InChIKey
AZZGNJWMBPFQOP-OXGONZEZSA-N
Compound name
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.15433 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16161 216.7
[M+Na]+ 439.14355 232.8
[M-H]- 415.14705 229.5
[M+NH4]+ 434.18815 230.3
[M+K]+ 455.11749 222.3
[M+H-H2O]+ 399.15159 188.1
[M+HCOO]- 461.15253 236.6
[M+CH3COO]- 475.16818 229.6
[M+Na-2H]- 437.12900 210.9
[M]+ 416.15378 210.1
[M]- 416.15488 210.1
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.