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

literature stripe

Patent stripe

patents stripe