CID 489489

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

Structural Information

Molecular Formula
C8H11FN4O4
SMILES
C1=C(N=NN1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F)C(=O)N
InChI
InChI=1S/C8H11FN4O4/c9-5-6(15)4(2-14)17-8(5)13-1-3(7(10)16)11-12-13/h1,4-6,8,14-15H,2H2,(H2,10,16)/t4-,5+,6-,8+/m0/s1
InChIKey
KVCKFYGMECIIPO-SKHQTKALSA-N
Compound name
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

246.07643 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08371 150.2
[M+Na]+ 269.06565 158.4
[M-H]- 245.06915 150.4
[M+NH4]+ 264.11025 163.8
[M+K]+ 285.03959 157.0
[M+H-H2O]+ 229.07369 142.0
[M+HCOO]- 291.07463 166.6
[M+CH3COO]- 305.09028 188.9
[M+Na-2H]- 267.05110 149.1
[M]+ 246.07588 147.5
[M]- 246.07698 147.5
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.