CID 3010601

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl vinyl carbonate

Structural Information

Molecular Formula
C13H15N5O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC=C)N=[N+]=[N-]
InChI
InChI=1S/C13H15N5O6/c1-3-22-13(21)23-6-9-8(16-17-14)4-10(24-9)18-5-7(2)11(19)15-12(18)20/h3,5,8-10H,1,4,6H2,2H3,(H,15,19,20)/t8-,9+,10+/m0/s1
InChIKey
LRHXSXSQVMBWRU-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl ethenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.10223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10951 173.8
[M+Na]+ 360.09145 180.7
[M-H]- 336.09495 180.5
[M+NH4]+ 355.13605 184.4
[M+K]+ 376.06539 174.3
[M+H-H2O]+ 320.09949 169.0
[M+HCOO]- 382.10043 198.6
[M+CH3COO]- 396.11608 207.4
[M+Na-2H]- 358.07690 179.2
[M]+ 337.10168 174.2
[M]- 337.10278 174.2
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.