CID 474355

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

Structural Information

Molecular Formula
C11H13N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N3C=NC=N3)CO)O
InChI
InChI=1S/C11H13N5O4/c17-4-8-7(18)3-10(20-8)15-2-1-9(14-11(15)19)16-6-12-5-13-16/h1-2,5-8,10,17-18H,3-4H2/t7-,8+,10+/m0/s1
InChIKey
YMWLMFYATBPASE-QXFUBDJGSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.09674 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10402 160.0
[M+Na]+ 302.08596 169.4
[M-H]- 278.08946 162.7
[M+NH4]+ 297.13056 169.8
[M+K]+ 318.05990 166.6
[M+H-H2O]+ 262.09400 150.4
[M+HCOO]- 324.09494 175.6
[M+CH3COO]- 338.11059 170.6
[M+Na-2H]- 300.07141 160.5
[M]+ 279.09619 160.2
[M]- 279.09729 160.2
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.