CID 5271263

133040-39-8

Structural Information

Molecular Formula
C13H15N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)N3C=CC=C3)CO)O
InChI
InChI=1S/C13H15N3O5/c17-7-10-9(18)5-11(21-10)16-6-8(12(19)14-13(16)20)15-3-1-2-4-15/h1-4,6,9-11,17-18H,5,7H2,(H,14,19,20)/t9-,10+,11+/m0/s1
InChIKey
ULODFGLWHBNVRA-HBNTYKKESA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyrrol-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.10117 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10845 162.7
[M+Na]+ 316.09039 171.8
[M-H]- 292.09389 166.8
[M+NH4]+ 311.13499 174.3
[M+K]+ 332.06433 168.2
[M+H-H2O]+ 276.09843 155.0
[M+HCOO]- 338.09937 179.3
[M+CH3COO]- 352.11502 192.4
[M+Na-2H]- 314.07584 162.0
[M]+ 293.10062 162.1
[M]- 293.10172 162.1
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.