CID 5273990

1h-pyrazole-3-carboxamide, 4-fluoro-1-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C9H12FN3O5
SMILES
C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)F
InChI
InChI=1S/C9H12FN3O5/c10-3-1-13(12-5(3)8(11)17)9-7(16)6(15)4(2-14)18-9/h1,4,6-7,9,14-16H,2H2,(H2,11,17)/t4-,6-,7-,9-/m1/s1
InChIKey
AMOMGVFCRSJZMX-FJGDRVTGSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoropyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.0761 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08338 153.4
[M+Na]+ 284.06532 161.4
[M-H]- 260.06882 153.7
[M+NH4]+ 279.10992 167.3
[M+K]+ 300.03926 159.7
[M+H-H2O]+ 244.07336 146.3
[M+HCOO]- 306.07430 169.4
[M+CH3COO]- 320.08995 190.5
[M+Na-2H]- 282.05077 151.2
[M]+ 261.07555 150.5
[M]- 261.07665 150.5
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

No patent data available for this compound.