CID 22792964

58151-90-9

Structural Information

Molecular Formula
C15H16N4O6
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=N3)C(=O)N)O)O
InChI
InChI=1S/C15H16N4O6/c16-12(22)13-17-7-19(18-13)14-11(21)10(20)9(25-14)6-24-15(23)8-4-2-1-3-5-8/h1-5,7,9-11,14,20-21H,6H2,(H2,16,22)/t9-,10-,11-,14-/m1/s1
InChIKey
DFCVOGPUXOBQKK-ZHSDAYTOSA-N
Compound name
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.107 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11428 177.8
[M+Na]+ 371.09622 185.4
[M+NH4]+ 366.14082 180.4
[M+K]+ 387.07016 188.5
[M-H]- 347.09972 178.8
[M+Na-2H]- 369.08167 179.7
[M]+ 348.10645 178.4
[M]- 348.10755 178.4
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