CID 489480

3,5-di-o-benzoyl-2-deoxy-2-fluoro-.alpha.-l-arabinofuranosyl azide

Structural Information

Molecular Formula
C19H16FN3O5
SMILES
C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)N=[N+]=[N-])F)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16FN3O5/c20-15-16(28-19(25)13-9-5-2-6-10-13)14(27-17(15)22-23-21)11-26-18(24)12-7-3-1-4-8-12/h1-10,14-17H,11H2/t14-,15+,16-,17+/m0/s1
InChIKey
GNDBWIFFBHMUPT-VVLHAWIVSA-N
Compound name
[(2S,3S,4R,5R)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11468 189.2
[M+Na]+ 408.09662 192.7
[M-H]- 384.10012 200.2
[M+NH4]+ 403.14122 199.9
[M+K]+ 424.07056 186.5
[M+H-H2O]+ 368.10466 182.8
[M+HCOO]- 430.10560 214.8
[M+CH3COO]- 444.12125 218.7
[M+Na-2H]- 406.08207 192.8
[M]+ 385.10685 187.8
[M]- 385.10795 187.8
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

No patent data available for this compound.