CID 3010602

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

Structural Information

Molecular Formula
C14H18N6O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)ON=C(C)C)N=[N+]=[N-]
InChI
InChI=1S/C14H18N6O6/c1-7(2)18-26-14(23)24-6-10-9(17-19-15)4-11(25-10)20-5-8(3)12(21)16-13(20)22/h5,9-11H,4,6H2,1-3H3,(H,16,21,22)/t9-,10+,11+/m0/s1
InChIKey
VBBYINYVXSTMPC-HBNTYKKESA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (propan-2-ylideneamino) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.12878 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13606 181.7
[M+Na]+ 389.11800 187.4
[M-H]- 365.12150 189.7
[M+NH4]+ 384.16260 191.4
[M+K]+ 405.09194 182.2
[M+H-H2O]+ 349.12604 176.2
[M+HCOO]- 411.12698 207.6
[M+CH3COO]- 425.14263 218.1
[M+Na-2H]- 387.10345 186.6
[M]+ 366.12823 182.7
[M]- 366.12933 182.7
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.