CID 452990

4'-azido-2'-deoxyuridine

Structural Information

Molecular Formula
C9H11N5O5
SMILES
C1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C9H11N5O5/c10-13-12-9(4-15)5(16)3-7(19-9)14-2-1-6(17)11-8(14)18/h1-2,5,7,15-16H,3-4H2,(H,11,17,18)/t5-,7+,9+/m0/s1
InChIKey
HQMDKFQJGGNORX-MTQIGAJGSA-N
Compound name
1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
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 151.1
[M+Na]+ 292.06524 158.9
[M-H]- 268.06874 155.6
[M+NH4]+ 287.10984 165.1
[M+K]+ 308.03918 152.1
[M+H-H2O]+ 252.07328 148.1
[M+HCOO]- 314.07422 174.9
[M+CH3COO]- 328.08987 188.6
[M+Na-2H]- 290.05069 160.9
[M]+ 269.07547 147.6
[M]- 269.07657 147.6
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