CID 165414051

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

Structural Information

Molecular Formula
C13H19N3O5
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N3C[C@@H]([C@H](C3)O)O
InChI
InChI=1S/C13H19N3O5/c17-7-8-1-2-12(21-8)16-4-3-11(14-13(16)20)15-5-9(18)10(19)6-15/h3-4,8-10,12,17-19H,1-2,5-7H2/t8-,9-,10-,12+/m0/s1
InChIKey
FSXDHCQSYUPUIE-QFOLPQNPSA-N
Compound name
4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13248 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 166.1
[M+Na]+ 320.12170 172.8
[M-H]- 296.12520 169.3
[M+NH4]+ 315.16630 177.3
[M+K]+ 336.09564 170.2
[M+H-H2O]+ 280.12974 158.3
[M+HCOO]- 342.13068 179.6
[M+CH3COO]- 356.14633 193.8
[M+Na-2H]- 318.10715 163.5
[M]+ 297.13193 163.3
[M]- 297.13303 163.3
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.