CID 5272849

2,4(1h,3h)-pyrimidinedione, 1-[2,5-dideoxy-5-[(methylsulfonyl)amino]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C11H17N3O6S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)C)O
InChI
InChI=1S/C11H17N3O6S/c1-6-5-14(11(17)13-10(6)16)9-3-7(15)8(20-9)4-12-21(2,18)19/h5,7-9,12,15H,3-4H2,1-2H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChIKey
YKTLWHPGROQWRK-DJLDLDEBSA-N
Compound name
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0838 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09108 168.7
[M+Na]+ 342.07302 177.7
[M-H]- 318.07652 171.9
[M+NH4]+ 337.11762 180.0
[M+K]+ 358.04696 174.5
[M+H-H2O]+ 302.08106 162.4
[M+HCOO]- 364.08200 181.6
[M+CH3COO]- 378.09765 200.0
[M+Na-2H]- 340.05847 169.6
[M]+ 319.08325 171.3
[M]- 319.08435 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.