CID 451889

3'-azido-3'-deoxyarabinothymidine

Structural Information

Molecular Formula
C10H13N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H13N5O5/c1-4-2-15(10(19)12-8(4)18)9-7(17)6(13-14-11)5(3-16)20-9/h2,5-7,9,16-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,9-/m1/s1
InChIKey
DVRKESVZZVYJRB-JAGXHNFQSA-N
Compound name
1-[(2R,3S,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

283.09167 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.098946 159.5
[M+Na]+ 306.080888 167.8
[M-H]- 282.084394 164.3
[M+NH4]+ 301.125493 171.5
[M+K]+ 322.054828 160.2
[M+H-H2O]+ 266.088930 155.9
[M+HCOO]- 328.089871 182.9
[M+CH3COO]- 342.105521 194.7
[M+Na-2H]- 304.066336 165.8
[M]+ 283.09112142 156.7
[M]- 283.09221858 156.7
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