CID 3003600

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

Structural Information

Molecular Formula
C21H23N7O9
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OC[C@H]3C=C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI
InChI=1S/C21H23N7O9/c1-10-6-27(19(31)23-17(10)29)15-4-3-12(36-15)8-34-21(33)35-9-14-13(25-26-22)5-16(37-14)28-7-11(2)18(30)24-20(28)32/h3-4,6-7,12-16H,5,8-9H2,1-2H3,(H,23,29,31)(H,24,30,32)/t12-,13+,14-,15+,16-/m1/s1
InChIKey
LDKPURLWXLJZJF-DGADGQDISA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

517.1557 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.16298 218.9
[M+Na]+ 540.14492 224.1
[M-H]- 516.14842 229.9
[M+NH4]+ 535.18952 218.3
[M+K]+ 556.11886 217.2
[M+H-H2O]+ 500.15296 212.0
[M+HCOO]- 562.15390 237.4
[M+CH3COO]- 576.16955 240.1
[M+Na-2H]- 538.13037 219.9
[M]+ 517.15515 220.4
[M]- 517.15625 220.4
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.