CID 165414107

1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-pyrrolidin-1-yl-pyrimidin-2-one

Structural Information

Molecular Formula
C13H19N3O4
SMILES
C1CCN(C1)C2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@H](O3)CO)O
InChI
InChI=1S/C13H19N3O4/c17-8-10-9(18)7-12(20-10)16-6-3-11(14-13(16)19)15-4-1-2-5-15/h3,6,9-10,12,17-18H,1-2,4-5,7-8H2/t9-,10-,12-/m1/s1
InChIKey
RKNWKURIAFUQCQ-CKYFFXLPSA-N
Compound name
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-pyrrolidin-1-ylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 162.9
[M+Na]+ 304.12676 169.5
[M-H]- 280.13026 167.0
[M+NH4]+ 299.17136 175.3
[M+K]+ 320.10070 167.0
[M+H-H2O]+ 264.13480 154.6
[M+HCOO]- 326.13574 177.8
[M+CH3COO]- 340.15139 173.1
[M+Na-2H]- 302.11221 161.2
[M]+ 281.13699 160.0
[M]- 281.13809 160.0
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.