CID 6479140

Chembl3143626

Structural Information

Molecular Formula
C12H15ClN2O5
SMILES
C/C(=C\Cl)/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H15ClN2O5/c1-6(3-13)7-4-15(12(19)14-11(7)18)10-2-8(17)9(5-16)20-10/h3-4,8-10,16-17H,2,5H2,1H3,(H,14,18,19)/b6-3+/t8-,9+,10+/m0/s1
InChIKey
KGOJGIDCODAAIW-NIYZIPFCSA-N
Compound name
5-[(E)-1-chloroprop-1-en-2-yl]-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

1
References

0
Patents

302.06696 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07424 164.4
[M+Na]+ 325.05618 173.7
[M-H]- 301.05968 165.9
[M+NH4]+ 320.10078 176.4
[M+K]+ 341.03012 168.9
[M+H-H2O]+ 285.06422 158.2
[M+HCOO]- 347.06516 175.1
[M+CH3COO]- 361.08081 193.5
[M+Na-2H]- 323.04163 163.2
[M]+ 302.06641 165.1
[M]- 302.06751 165.1
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

No patent data available for this compound.