CID 451370

3'-azido-2',3'-dideoxy-5-hydroxyuridine

Structural Information

Molecular Formula
C9H11N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H11N5O5/c10-13-12-4-1-7(19-6(4)3-15)14-2-5(16)8(17)11-9(14)18/h2,4,6-7,15-16H,1,3H2,(H,11,17,18)/t4-,6+,7+/m0/s1
InChIKey
AXXNSKSOBHVEGQ-UBKIQSJTSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

269.07602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08330 154.1
[M+Na]+ 292.06524 161.9
[M-H]- 268.06874 158.7
[M+NH4]+ 287.10984 166.3
[M+K]+ 308.03918 154.6
[M+H-H2O]+ 252.07328 150.4
[M+HCOO]- 314.07422 177.8
[M+CH3COO]- 328.08987 190.4
[M+Na-2H]- 290.05069 161.6
[M]+ 269.07547 150.5
[M]- 269.07657 150.5
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