CID 444437

5'-deoxyuridine

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
InChIKey
WUBAOANSQGKRHF-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

228.07462 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 147.6
[M+Na]+ 251.06384 158.4
[M+NH4]+ 246.10844 152.3
[M+K]+ 267.03778 157.9
[M-H]- 227.06734 147.8
[M+Na-2H]- 249.04929 149.8
[M]+ 228.07407 148.7
[M]- 228.07517 148.7
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