CID 514172

1-((3r,4s,5r)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C10H11N3O6
SMILES
C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N
InChI
InChI=1S/C10H11N3O6/c11-1-4-2-13(10(18)12-8(4)17)9-7(16)6(15)5(3-14)19-9/h2,5-7,9,14-16H,3H2,(H,12,17,18)/t5-,6-,7-,9?/m1/s1
InChIKey
VIVLFSUDRCCWEF-PILSHRGASA-N
Compound name
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.0648 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07208 154.2
[M+Na]+ 292.05402 165.0
[M-H]- 268.05752 153.9
[M+NH4]+ 287.09862 164.5
[M+K]+ 308.02796 161.9
[M+H-H2O]+ 252.06206 140.7
[M+HCOO]- 314.06300 166.4
[M+CH3COO]- 328.07865 198.8
[M+Na-2H]- 290.03947 154.6
[M]+ 269.06425 148.3
[M]- 269.06535 148.3
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.