CID 94196

5-hydroxyuridine

Structural Information

Molecular Formula
C9H12N2O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
QXDXBKZJFLRLCM-UAKXSSHOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

6757
Patents

260.06445 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07173 154.7
[M+Na]+ 283.05367 163.7
[M+NH4]+ 278.09827 157.4
[M+K]+ 299.02761 165.2
[M-H]- 259.05717 152.9
[M+Na-2H]- 281.03912 154.4
[M]+ 260.06390 154.7
[M]- 260.06500 154.7
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

patents stripe