CID 170454118

(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carbaldehyde

Structural Information

Molecular Formula
C8H8FN3O3S
SMILES
C1[C@H](O[C@H](S1)C=O)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H8FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1-2,5-6H,3H2,(H2,10,11,14)/t5-,6+/m0/s1
InChIKey
ADLWUTRQINMNCT-NTSWFWBYSA-N
Compound name
(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02704 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.034316 148.2
[M+Na]+ 268.016258 158.9
[M-H]- 244.019764 152.3
[M+NH4]+ 263.060863 163.9
[M+K]+ 283.990198 156.1
[M+H-H2O]+ 228.024300 140.4
[M+HCOO]- 290.025241 164.3
[M+CH3COO]- 304.040891 190.1
[M+Na-2H]- 266.001706 148.6
[M]+ 245.02649142 148.7
[M]- 245.02758858 148.7
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.