CID 6481839

1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H21N3O5
SMILES
C1CCN(C1)CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C14H21N3O5/c18-8-11-10(19)5-12(22-11)17-7-9(13(20)15-14(17)21)6-16-3-1-2-4-16/h7,10-12,18-19H,1-6,8H2,(H,15,20,21)/t10-,11+,12+/m0/s1
InChIKey
WNBQFYSAUFKOJJ-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14813 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 170.2
[M+Na]+ 334.13735 176.8
[M-H]- 310.14085 173.3
[M+NH4]+ 329.18195 180.8
[M+K]+ 350.11129 173.3
[M+H-H2O]+ 294.14539 162.2
[M+HCOO]- 356.14633 183.5
[M+CH3COO]- 370.16198 196.1
[M+Na-2H]- 332.12280 167.0
[M]+ 311.14758 167.0
[M]- 311.14868 167.0
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.