CID 135459767

5'-deoxypyrazofurin

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)C2=NNC(=C2O)C(=O)N)O)O
InChI
InChI=1S/C9H13N3O5/c1-2-5(13)7(15)8(17-2)3-6(14)4(9(10)16)12-11-3/h2,5,7-8,13-15H,1H3,(H2,10,16)(H,11,12)/t2-,5-,7-,8+/m1/s1
InChIKey
ZDFJFGFVFKMTSC-FLLFQEBCSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-hydroxy-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

243.08553 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09281 152.4
[M+Na]+ 266.07475 159.9
[M-H]- 242.07825 152.8
[M+NH4]+ 261.11935 166.4
[M+K]+ 282.04869 157.9
[M+H-H2O]+ 226.08279 146.5
[M+HCOO]- 288.08373 167.9
[M+CH3COO]- 302.09938 185.8
[M+Na-2H]- 264.06020 150.1
[M]+ 243.08498 148.8
[M]- 243.08608 148.8
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