CID 5272746

Smcu

Structural Information

Molecular Formula
C10H13ClN2O5
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)O
InChI
InChI=1S/C10H13ClN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,4,6-7,9,14-15H,3H2,1H3,(H,12,16,17)/t4-,6+,7-,9+/m0/s1
InChIKey
XXMFDABRSPXOBZ-WOPPDYDQSA-N
Compound name
5-chloro-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

276.0513 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05858 156.4
[M+Na]+ 299.04052 167.4
[M-H]- 275.04402 158.4
[M+NH4]+ 294.08512 169.9
[M+K]+ 315.01446 163.1
[M+H-H2O]+ 259.04856 150.6
[M+HCOO]- 321.04950 168.4
[M+CH3COO]- 335.06515 189.3
[M+Na-2H]- 297.02597 156.7
[M]+ 276.05075 158.1
[M]- 276.05185 158.1
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

patents stripe