CID 452177

129779-68-6

Structural Information

Molecular Formula
C13H17N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](C[C@H](O2)COC(=O)C)N=[N+]=[N-]
InChI
InChI=1S/C13H17N5O5/c1-7-5-18(13(21)15-12(7)20)11-4-9(16-17-14)3-10(23-11)6-22-8(2)19/h5,9-11H,3-4,6H2,1-2H3,(H,15,20,21)/t9-,10-,11+/m0/s1
InChIKey
BEOQYVBMCOTDIP-GARJFASQSA-N
Compound name
[(2S,4S,6R)-4-azido-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.12296 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13024 172.5
[M+Na]+ 346.11218 178.8
[M-H]- 322.11568 178.8
[M+NH4]+ 341.15678 182.0
[M+K]+ 362.08612 172.4
[M+H-H2O]+ 306.12022 167.1
[M+HCOO]- 368.12116 194.9
[M+CH3COO]- 382.13681 207.3
[M+Na-2H]- 344.09763 178.7
[M]+ 323.12241 170.5
[M]- 323.12351 170.5
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

No patent data available for this compound.