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

1
Patents

286.09134 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09862 160.6
[M+Na]+ 309.08056 167.4
[M-H]- 285.08406 162.1
[M+NH4]+ 304.12516 172.4
[M+K]+ 325.05450 167.4
[M+H-H2O]+ 269.08860 153.1
[M+HCOO]- 331.08954 177.0
[M+CH3COO]- 345.10519 196.6
[M+Na-2H]- 307.06601 158.4
[M]+ 286.09079 161.1
[M]- 286.09189 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