CID 489491

1-(2-deoxy-2-fluoro-.alpha.-l-arabinofuranosyl)-1,2,3-triazole-5-amino--4-carboxamide

Structural Information

Molecular Formula
C8H12FN5O4
SMILES
C([C@H]1[C@@H]([C@H]([C@@H](O1)N2C(=C(N=N2)C(=O)N)N)F)O)O
InChI
InChI=1S/C8H12FN5O4/c9-3-5(16)2(1-15)18-8(3)14-6(10)4(7(11)17)12-13-14/h2-3,5,8,15-16H,1,10H2,(H2,11,17)/t2-,3+,5-,8+/m0/s1
InChIKey
SYICLWRFJOZUMK-RFKIRMDUSA-N
Compound name
5-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08734 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09462 154.4
[M+Na]+ 284.07656 162.5
[M-H]- 260.08006 154.6
[M+NH4]+ 279.12116 167.1
[M+K]+ 300.05050 160.8
[M+H-H2O]+ 244.08460 146.0
[M+HCOO]- 306.08554 171.1
[M+CH3COO]- 320.10119 195.3
[M+Na-2H]- 282.06201 152.3
[M]+ 261.08679 150.4
[M]- 261.08789 150.4
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.