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
2
Annotation Hits

4
References

30
Patents

283.09167 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 159.5
[M+Na]+ 306.08089 167.8
[M-H]- 282.08439 164.3
[M+NH4]+ 301.12549 171.5
[M+K]+ 322.05483 160.2
[M+H-H2O]+ 266.08893 155.9
[M+HCOO]- 328.08987 182.9
[M+CH3COO]- 342.10552 194.7
[M+Na-2H]- 304.06634 165.8
[M]+ 283.09112 156.7
[M]- 283.09222 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.