CID 5271821

T-705 ribofuranose

Structural Information

Molecular Formula
C10H12FN3O6
SMILES
C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)F
InChI
InChI=1S/C10H12FN3O6/c11-4-1-14(9(19)5(13-4)8(12)18)10-7(17)6(16)3(2-15)20-10/h1,3,6-7,10,15-17H,2H2,(H2,12,18)/t3-,6-,7-,10-/m1/s1
InChIKey
LKZVKGXWHGKNSF-KAFVXXCXSA-N
Compound name
4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-oxopyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

289.071 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07828 159.8
[M+Na]+ 312.06022 168.7
[M-H]- 288.06372 160.2
[M+NH4]+ 307.10482 170.8
[M+K]+ 328.03416 166.4
[M+H-H2O]+ 272.06826 151.9
[M+HCOO]- 334.06920 175.0
[M+CH3COO]- 348.08485 196.7
[M+Na-2H]- 310.04567 158.5
[M]+ 289.07045 157.7
[M]- 289.07155 157.7
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