CID 11517585

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-(pyrazine-2-carbonylamino)acetate

Structural Information

Molecular Formula
C17H18N8O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CNC(=O)C3=NC=CN=C3)N=[N+]=[N-]
InChI
InChI=1S/C17H18N8O6/c1-9-7-25(17(29)22-15(9)27)13-4-10(23-24-18)12(31-13)8-30-14(26)6-21-16(28)11-5-19-2-3-20-11/h2-3,5,7,10,12-13H,4,6,8H2,1H3,(H,21,28)(H,22,27,29)/t10-,12+,13+/m0/s1
InChIKey
IWAZTPSHYBPCGV-CYZMBNFOSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-(pyrazine-2-carbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.13492 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14220 195.9
[M+Na]+ 453.12414 200.2
[M-H]- 429.12764 203.3
[M+NH4]+ 448.16874 198.7
[M+K]+ 469.09808 192.7
[M+H-H2O]+ 413.13218 187.8
[M+HCOO]- 475.13312 217.8
[M+CH3COO]- 489.14877 227.3
[M+Na-2H]- 451.10959 202.0
[M]+ 430.13437 194.4
[M]- 430.13547 194.4
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.