CID 3009782

2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-2-fluoro-4-thio-beta-d-arabinofuranosyl)-5-ethyl-

Structural Information

Molecular Formula
C11H15FN2O4S
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)F
InChI
InChI=1S/C11H15FN2O4S/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
IFVZEUHPOPNVSS-IBCQBUCCSA-N
Compound name
5-ethyl-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

290.07367 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08095 160.8
[M+Na]+ 313.06289 170.8
[M-H]- 289.06639 160.8
[M+NH4]+ 308.10749 174.8
[M+K]+ 329.03683 165.1
[M+H-H2O]+ 273.07093 154.0
[M+HCOO]- 335.07187 171.8
[M+CH3COO]- 349.08752 192.4
[M+Na-2H]- 311.04834 157.1
[M]+ 290.07312 160.3
[M]- 290.07422 160.3
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.