CID 170454551

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

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
C1=CN(C(=O)N=C1N)[C@@H]2C(S[C@@H](O2)CO)O
InChI
InChI=1S/C8H11N3O4S/c9-4-1-2-11(8(14)10-4)6-7(13)16-5(3-12)15-6/h1-2,5-7,12-13H,3H2,(H2,9,10,14)/t5-,6+,7?/m1/s1
InChIKey
FPJPTCHRIMPDSG-JEAXJGTLSA-N
Compound name
4-amino-1-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04703 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.054306 150.1
[M+Na]+ 268.036248 159.3
[M-H]- 244.039754 152.7
[M+NH4]+ 263.080853 164.3
[M+K]+ 284.010188 156.3
[M+H-H2O]+ 228.044290 143.5
[M+HCOO]- 290.045231 164.2
[M+CH3COO]- 304.060881 185.9
[M+Na-2H]- 266.021696 150.4
[M]+ 245.04648142 150.1
[M]- 245.04757858 150.1
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.