CID 453762

1-beta-d-ribofuranosyl-4-bromo-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C9H12BrN3O5
SMILES
C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)Br
InChI
InChI=1S/C9H12BrN3O5/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
JYPFLOBSMUJIPQ-FJGDRVTGSA-N
Compound name
4-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.99603 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00331 162.8
[M+Na]+ 343.98525 173.3
[M-H]- 319.98875 166.9
[M+NH4]+ 339.02985 178.0
[M+K]+ 359.95919 163.1
[M+H-H2O]+ 303.99329 161.6
[M+HCOO]- 365.99423 177.6
[M+CH3COO]- 380.00988 197.3
[M+Na-2H]- 341.97070 162.1
[M]+ 320.99548 179.2
[M]- 320.99658 179.2
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.