CID 5274164

2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-5-(2-furanyl)-

Structural Information

Molecular Formula
C13H15N3O5
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)C3=CC=CO3)CO)O
InChI
InChI=1S/C13H15N3O5/c14-12-7(9-2-1-3-20-9)5-16(13(19)15-12)11-4-8(18)10(6-17)21-11/h1-3,5,8,10-11,17-18H,4,6H2,(H2,14,15,19)/t8-,10+,11-/m0/s1
InChIKey
BUKCPXPDXFJRHI-GDPRMGEGSA-N
Compound name
4-amino-5-(furan-2-yl)-1-[(2S,4S,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

293.10117 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10845 163.3
[M+Na]+ 316.09039 171.8
[M-H]- 292.09389 170.2
[M+NH4]+ 311.13499 175.1
[M+K]+ 332.06433 170.2
[M+H-H2O]+ 276.09843 156.1
[M+HCOO]- 338.09937 182.0
[M+CH3COO]- 352.11502 197.5
[M+Na-2H]- 314.07584 163.5
[M]+ 293.10062 163.7
[M]- 293.10172 163.7
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.