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

11
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

literature stripe

Patent stripe

patents stripe