CID 496020

Nsc676766

Structural Information

Molecular Formula
C9H14N4O5
SMILES
CNC(=O)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H14N4O5/c1-10-8(17)7-11-3-13(12-7)9-6(16)5(15)4(2-14)18-9/h3-6,9,14-16H,2H2,1H3,(H,10,17)/t4-,5-,6-,9-/m1/s1
InChIKey
WWPJVPICPASDCK-MWKIOEHESA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methyl-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.0964 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10368 155.4
[M+Na]+ 281.08562 162.5
[M-H]- 257.08912 156.0
[M+NH4]+ 276.13022 168.1
[M+K]+ 297.05956 161.5
[M+H-H2O]+ 241.09366 148.1
[M+HCOO]- 303.09460 171.8
[M+CH3COO]- 317.11025 189.3
[M+Na-2H]- 279.07107 155.0
[M]+ 258.09585 154.5
[M]- 258.09695 154.5
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.