CID 11575284

2-azidoethyl 2,3,4,6-tetra-o-acetyl-beta-d-glucopyranoside

Structural Information

Molecular Formula
C16H23N3O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
DPAXDKFCBLGMIZ-IBEHDNSVSA-N
Compound name
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

417.13834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14562 209.6
[M+Na]+ 440.12756 224.4
[M-H]- 416.13106 221.2
[M+NH4]+ 435.17216 225.1
[M+K]+ 456.10150 214.9
[M+H-H2O]+ 400.13560 209.1
[M+HCOO]- 462.13654 231.6
[M+CH3COO]- 476.15219 226.6
[M+Na-2H]- 438.11301 204.5
[M]+ 417.13779 205.7
[M]- 417.13889 205.7
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.