CID 474174

4-amino-5-fluoro-1-[(2r,4s)-2-(hydroxymethyl)-1,3-dithiolan-4-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C8H10FN3O2S2
SMILES
C1[C@H](S[C@@H](S1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O2S2/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
InChIKey
DVDCEZOZJFSIQE-NTSWFWBYSA-N
Compound name
4-amino-5-fluoro-1-[(2R,4S)-2-(hydroxymethyl)-1,3-dithiolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01984 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02712 149.9
[M+Na]+ 286.00906 160.0
[M-H]- 262.01256 151.5
[M+NH4]+ 281.05366 165.8
[M+K]+ 301.98300 154.1
[M+H-H2O]+ 246.01710 142.9
[M+HCOO]- 308.01804 159.4
[M+CH3COO]- 322.03369 190.9
[M+Na-2H]- 283.99451 147.7
[M]+ 263.01929 148.5
[M]- 263.02039 148.5
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.