CID 489487

Ethyl 1-(3,5-di-o-benzoyl-2-deoxy-2-fluoro-.alpha.-l-arabinofuranosyl)-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C24H22FN3O7
SMILES
CCOC(=O)C1=CN(N=N1)[C@H]2[C@@H]([C@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)F
InChI
InChI=1S/C24H22FN3O7/c1-2-32-24(31)17-13-28(27-26-17)21-19(25)20(35-23(30)16-11-7-4-8-12-16)18(34-21)14-33-22(29)15-9-5-3-6-10-15/h3-13,18-21H,2,14H2,1H3/t18-,19+,20-,21+/m0/s1
InChIKey
MZBDPWUHWHWVGU-JSXRDJHFSA-N
Compound name
ethyl 1-[(2R,3R,4S,5S)-4-benzoyloxy-5-(benzoyloxymethyl)-3-fluorooxolan-2-yl]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.14417 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.15145 208.1
[M+Na]+ 506.13339 212.5
[M-H]- 482.13689 216.9
[M+NH4]+ 501.17799 212.3
[M+K]+ 522.10733 211.3
[M+H-H2O]+ 466.14143 196.5
[M+HCOO]- 528.14237 223.1
[M+CH3COO]- 542.15802 232.9
[M+Na-2H]- 504.11884 202.7
[M]+ 483.14362 212.4
[M]- 483.14472 212.4
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.