CID 15957664

[(2r,3s,5r)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-3-yl] acetate

Structural Information

Molecular Formula
C11H13N5O5
SMILES
CC(=O)O[C@H]1C[C@@H](O[C@@H]1CN=[N+]=[N-])N2C=CC(=O)NC2=O
InChI
InChI=1S/C11H13N5O5/c1-6(17)20-7-4-10(21-8(7)5-13-15-12)16-3-2-9(18)14-11(16)19/h2-3,7-8,10H,4-5H2,1H3,(H,14,18,19)/t7-,8+,10+/m0/s1
InChIKey
CVEVLFMVRPKISZ-QXFUBDJGSA-N
Compound name
[(2R,3S,5R)-2-(azidomethyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.09167 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 162.5
[M+Na]+ 318.08089 169.5
[M-H]- 294.08439 169.2
[M+NH4]+ 313.12549 174.7
[M+K]+ 334.05483 163.4
[M+H-H2O]+ 278.08893 158.0
[M+HCOO]- 340.08987 187.8
[M+CH3COO]- 354.10552 199.3
[M+Na-2H]- 316.06634 169.3
[M]+ 295.09112 161.4
[M]- 295.09222 161.4
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.