CID 135413551

Pyrazofurin

Structural Information

Molecular Formula
C9H13N3O6
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=NNC(=C2O)C(=O)N)O)O)O
InChI
InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1
InChIKey
XESARGFCSKSFID-FLLFQEBCSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

133
References

15485
Patents

259.08044 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08772 156.1
[M+Na]+ 282.06966 161.2
[M+NH4]+ 277.11426 158.6
[M+K]+ 298.04360 166.1
[M-H]- 258.07316 154.1
[M+Na-2H]- 280.05511 154.1
[M]+ 259.07989 155.3
[M]- 259.08099 155.3
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

patents stripe