CID 470865

5-amino-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=O)NC2=O)N
InChI
InChI=1S/C8H11N3O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3,9H2,(H,10,13,14)/t5-,6+/m1/s1
InChIKey
LOASBPZYTQCVBE-RITPCOANSA-N
Compound name
5-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04703 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05431 150.0
[M+Na]+ 268.03625 159.5
[M-H]- 244.03975 152.7
[M+NH4]+ 263.08085 164.2
[M+K]+ 284.01019 155.9
[M+H-H2O]+ 228.04429 143.5
[M+HCOO]- 290.04523 164.3
[M+CH3COO]- 304.06088 185.3
[M+Na-2H]- 266.02170 150.3
[M]+ 245.04648 149.4
[M]- 245.04758 149.4
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.