CID 6479899

2(1h)-pyrimidinone, 5-[(e)-2-chloroethenyl]-1-(2-deoxy-b-d-erythro-pentofuranosyl)-4-methoxy-

Structural Information

Molecular Formula
C12H15ClN2O5
SMILES
COC1=NC(=O)N(C=C1/C=C/Cl)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H15ClN2O5/c1-19-11-7(2-3-13)5-15(12(18)14-11)10-4-8(17)9(6-16)20-10/h2-3,5,8-10,16-17H,4,6H2,1H3/b3-2+/t8-,9+,10+/m0/s1
InChIKey
XSGRAPNLMOHJJU-YJCWOPNRSA-N
Compound name
5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06696 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07424 164.4
[M+Na]+ 325.05618 174.2
[M-H]- 301.05968 167.1
[M+NH4]+ 320.10078 177.3
[M+K]+ 341.03012 170.3
[M+H-H2O]+ 285.06422 157.7
[M+HCOO]- 347.06516 177.4
[M+CH3COO]- 361.08081 195.3
[M+Na-2H]- 323.04163 164.9
[M]+ 302.06641 168.2
[M]- 302.06751 168.2
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.