CID 474892

1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)C#CCO
InChI
InChI=1S/C12H12N2O5/c15-5-1-2-8-6-14(12(18)13-11(8)17)10-4-3-9(7-16)19-10/h3-4,6,9-10,15-16H,5,7H2,(H,13,17,18)/t9-,10+/m1/s1
InChIKey
WFDCKFVUAXNUQE-ZJUUUORDSA-N
Compound name
1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.07462 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 155.7
[M+Na]+ 287.06384 166.6
[M-H]- 263.06734 154.8
[M+NH4]+ 282.10844 166.4
[M+K]+ 303.03778 161.8
[M+H-H2O]+ 247.07188 141.9
[M+HCOO]- 309.07282 167.7
[M+CH3COO]- 323.08847 193.1
[M+Na-2H]- 285.04929 156.7
[M]+ 264.07407 150.1
[M]- 264.07517 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.