CID 174316

83546-42-3

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C11H15FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h3,6-8,10,15-16H,2,4H2,1H3,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
InChIKey
SWFJAJRDLUUIOA-IBCQBUCCSA-N
Compound name
5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

553
Patents

274.0965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 157.6
[M+Na]+ 297.08572 167.6
[M-H]- 273.08922 158.2
[M+NH4]+ 292.13032 170.2
[M+K]+ 313.05966 164.2
[M+H-H2O]+ 257.09376 150.0
[M+HCOO]- 319.09470 172.9
[M+CH3COO]- 333.11035 191.2
[M+Na-2H]- 295.07117 157.2
[M]+ 274.09595 156.7
[M]- 274.09705 156.7
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

patents stripe