CID 453761

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

Structural Information

Molecular Formula
C9H12N4O7
SMILES
C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O7/c10-8(17)5-3(13(18)19)1-12(11-5)9-7(16)6(15)4(2-14)20-9/h1,4,6-7,9,14-16H,2H2,(H2,10,17)/t4-,6-,7-,9-/m1/s1
InChIKey
NKZYBLRLQHUTMF-FJGDRVTGSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-nitropyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0706 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07788 157.0
[M+Na]+ 311.05982 162.6
[M-H]- 287.06332 158.8
[M+NH4]+ 306.10442 168.5
[M+K]+ 327.03376 157.6
[M+H-H2O]+ 271.06786 154.9
[M+HCOO]- 333.06880 175.0
[M+CH3COO]- 347.08445 188.7
[M+Na-2H]- 309.04527 158.9
[M]+ 288.07005 153.3
[M]- 288.07115 153.3
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.