CID 488244

139628-25-4

Structural Information

Molecular Formula
C12H17ClN2O6
SMILES
COC(CCl)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H17ClN2O6/c1-20-8(3-13)6-4-15(12(19)14-11(6)18)10-2-7(17)9(5-16)21-10/h4,7-10,16-17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8?,9+,10+/m0/s1
InChIKey
MZWWNHSSKMZZFV-NKSXPTFNSA-N
Compound name
5-(2-chloro-1-methoxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.0775 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08478 166.6
[M+Na]+ 343.06672 175.3
[M-H]- 319.07022 168.1
[M+NH4]+ 338.11132 177.8
[M+K]+ 359.04066 171.8
[M+H-H2O]+ 303.07476 160.2
[M+HCOO]- 365.07570 177.3
[M+CH3COO]- 379.09135 197.2
[M+Na-2H]- 341.05217 165.8
[M]+ 320.07695 169.6
[M]- 320.07805 169.6
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.