CID 474358

80991-41-9

Structural Information

Molecular Formula
C16H19N5O6
SMILES
CC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C
InChI
InChI=1S/C16H19N5O6/c1-9-5-20(16(24)19-15(9)21-8-17-7-18-21)14-4-12(26-11(3)23)13(27-14)6-25-10(2)22/h5,7-8,12-14H,4,6H2,1-3H3/t12-,13+,14+/m0/s1
InChIKey
CPXMZBUOUUNODF-BFHYXJOUSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.13354 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14082 183.4
[M+Na]+ 400.12276 191.8
[M-H]- 376.12626 188.8
[M+NH4]+ 395.16736 190.5
[M+K]+ 416.09670 190.8
[M+H-H2O]+ 360.13080 173.4
[M+HCOO]- 422.13174 199.1
[M+CH3COO]- 436.14739 215.7
[M+Na-2H]- 398.10821 180.1
[M]+ 377.13299 189.3
[M]- 377.13409 189.3
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.