CID 6479335

Chembl2368302

Structural Information

Molecular Formula
C11H12ClFN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)/C=C/Cl
InChI
InChI=1S/C11H12ClFN2O5/c12-2-1-5-3-15(11(19)14-9(5)18)10-7(13)8(17)6(4-16)20-10/h1-3,6-8,10,16-17H,4H2,(H,14,18,19)/b2-1+/t6-,7+,8-,10-/m1/s1
InChIKey
BCEQEKTZAWKCJT-TUSGKMHUSA-N
Compound name
5-[(E)-2-chloroethenyl]-1-[(2R,3S,4R,5R)-3-fluoro-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

306.04187 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04915 162.3
[M+Na]+ 329.03109 173.3
[M-H]- 305.03459 162.8
[M+NH4]+ 324.07569 174.5
[M+K]+ 345.00503 167.7
[M+H-H2O]+ 289.03913 155.4
[M+HCOO]- 351.04007 173.2
[M+CH3COO]- 365.05572 193.6
[M+Na-2H]- 327.01654 161.6
[M]+ 306.04132 162.6
[M]- 306.04242 162.6
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.