CID 452188

5-[(2s,3s,4r,5s)-4-azido-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12FN5O4
SMILES
CN1C=C(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI
InChI=1S/C10H12FN5O4/c1-16-2-4(9(18)13-10(16)19)8-6(11)7(14-15-12)5(3-17)20-8/h2,5-8,17H,3H2,1H3,(H,13,18,19)/t5-,6+,7-,8+/m1/s1
InChIKey
WCXOIXQZTJXMQW-CWKFCGSDSA-N
Compound name
5-[(2S,3S,4R,5S)-4-azido-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

285.08734 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09462 159.3
[M+Na]+ 308.07656 168.3
[M-H]- 284.08006 164.0
[M+NH4]+ 303.12116 171.9
[M+K]+ 324.05050 160.5
[M+H-H2O]+ 268.08460 154.7
[M+HCOO]- 330.08554 182.9
[M+CH3COO]- 344.10119 197.5
[M+Na-2H]- 306.06201 165.1
[M]+ 285.08679 155.8
[M]- 285.08789 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.