CID 165414076

4-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C13H19N3O6
SMILES
C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N3C[C@@H]([C@H](C3)O)O)CO)O
InChI
InChI=1S/C13H19N3O6/c17-6-10-7(18)3-12(22-10)16-2-1-11(14-13(16)21)15-4-8(19)9(20)5-15/h1-2,7-10,12,17-20H,3-6H2/t7-,8+,9+,10-,12-/m1/s1
InChIKey
DJAFFLVJRFTQJY-KZFLBEFCSA-N
Compound name
4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12738 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13466 169.2
[M+Na]+ 336.11660 176.1
[M-H]- 312.12010 171.6
[M+NH4]+ 331.16120 179.3
[M+K]+ 352.09054 173.4
[M+H-H2O]+ 296.12464 161.9
[M+HCOO]- 358.12558 181.3
[M+CH3COO]- 372.14123 195.5
[M+Na-2H]- 334.10205 165.8
[M]+ 313.12683 166.6
[M]- 313.12793 166.6
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.