CID 452423

5'-o-acetyl azt

Structural Information

Molecular Formula
C12H15N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)N=[N+]=[N-]
InChI
InChI=1S/C12H15N5O5/c1-6-4-17(12(20)14-11(6)19)10-3-8(15-16-13)9(22-10)5-21-7(2)18/h4,8-10H,3,5H2,1-2H3,(H,14,19,20)/t8-,9+,10+/m0/s1
InChIKey
OIJJMOJAWSJXOQ-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

309.10733 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 167.6
[M+Na]+ 332.09655 175.0
[M-H]- 308.10005 174.6
[M+NH4]+ 327.14115 179.6
[M+K]+ 348.07049 168.8
[M+H-H2O]+ 292.10459 163.2
[M+HCOO]- 354.10553 192.5
[M+CH3COO]- 368.12118 203.6
[M+Na-2H]- 330.08200 173.2
[M]+ 309.10678 167.2
[M]- 309.10788 167.2
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.