CID 483936

174358-06-6

Structural Information

Molecular Formula
C11H15FN2O4S
SMILES
C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)CCF)CO)O
InChI
InChI=1S/C11H15FN2O4S/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
QDSHRNSPNCWNIV-DJLDLDEBSA-N
Compound name
5-(2-fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07367 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08095 160.7
[M+Na]+ 313.06289 169.9
[M-H]- 289.06639 160.3
[M+NH4]+ 308.10749 174.4
[M+K]+ 329.03683 164.2
[M+H-H2O]+ 273.07093 153.6
[M+HCOO]- 335.07187 171.9
[M+CH3COO]- 349.08752 191.0
[M+Na-2H]- 311.04834 157.8
[M]+ 290.07312 159.8
[M]- 290.07422 159.8
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.