CID 482476

Chembl2448168

Structural Information

Molecular Formula
C9H10ClFN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F)Cl
InChI
InChI=1S/C9H10ClFN2O5/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m0/s1
InChIKey
NEJVFDJYSZDPCD-GCJQMDKQSA-N
Compound name
5-chloro-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

280.0262 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03348 153.8
[M+Na]+ 303.01542 165.3
[M-H]- 279.01892 154.6
[M+NH4]+ 298.06002 167.0
[M+K]+ 318.98936 160.7
[M+H-H2O]+ 263.02346 147.2
[M+HCOO]- 325.02440 165.1
[M+CH3COO]- 339.04005 189.0
[M+Na-2H]- 301.00087 154.1
[M]+ 280.02565 154.1
[M]- 280.02675 154.1
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.