CID 73115

Clevudine

Structural Information

Molecular Formula
C10H13FN2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
InChIKey
GBBJCSTXCAQSSJ-XQXXSGGOSA-N
Compound name
1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

227
References

7203
Patents

260.08084 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08812 153.0
[M+Na]+ 283.07006 163.5
[M-H]- 259.07356 153.8
[M+NH4]+ 278.11466 166.2
[M+K]+ 299.04400 160.3
[M+H-H2O]+ 243.07810 145.7
[M+HCOO]- 305.07904 168.7
[M+CH3COO]- 319.09469 188.2
[M+Na-2H]- 281.05551 153.2
[M]+ 260.08029 151.8
[M]- 260.08139 151.8
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

patents stripe