CID 22792963

58151-87-4

Structural Information

Molecular Formula
C10H14N4O6
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O
InChI
InChI=1S/C10H14N4O6/c1-4(15)19-2-5-6(16)7(17)10(20-5)14-3-12-9(13-14)8(11)18/h3,5-7,10,16-17H,2H2,1H3,(H2,11,18)/t5-,6-,7-,10-/m1/s1
InChIKey
SSKIKIHFNHSINB-DAGMQNCNSA-N
Compound name
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.09134 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.098616 160.6
[M+Na]+ 309.080558 167.4
[M-H]- 285.084064 162.1
[M+NH4]+ 304.125163 172.4
[M+K]+ 325.054498 167.4
[M+H-H2O]+ 269.088600 153.1
[M+HCOO]- 331.089541 177.0
[M+CH3COO]- 345.105191 196.6
[M+Na-2H]- 307.066006 158.4
[M]+ 286.09079142 161.1
[M]- 286.09188858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe