CID 5272848

Schembl3345511

Structural Information

Molecular Formula
C11H16N2O7S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COS(=O)(=O)C)O
InChI
InChI=1S/C11H16N2O7S/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(20-9)5-19-21(2,17)18/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKey
FKTQFHRCQVZSHV-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

320.0678 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07508 166.7
[M+Na]+ 343.05702 176.3
[M-H]- 319.06052 170.0
[M+NH4]+ 338.10162 178.3
[M+K]+ 359.03096 174.0
[M+H-H2O]+ 303.06506 160.7
[M+HCOO]- 365.06600 178.9
[M+CH3COO]- 379.08165 197.0
[M+Na-2H]- 341.04247 167.2
[M]+ 320.06725 171.5
[M]- 320.06835 171.5
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

patents stripe