CID 483707

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 3-hydroxypropyl carbonate

Structural Information

Molecular Formula
C14H19N5O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCCO)N=[N+]=[N-]
InChI
InChI=1S/C14H19N5O7/c1-8-6-19(13(22)16-12(8)21)11-5-9(17-18-15)10(26-11)7-25-14(23)24-4-2-3-20/h6,9-11,20H,2-5,7H2,1H3,(H,16,21,22)/t9-,10+,11+/m0/s1
InChIKey
VVWFGRQGPQVDNH-HBNTYKKESA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 3-hydroxypropyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.12845 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13573 180.8
[M+Na]+ 392.11767 186.2
[M-H]- 368.12117 186.0
[M+NH4]+ 387.16227 189.4
[M+K]+ 408.09161 180.1
[M+H-H2O]+ 352.12571 175.8
[M+HCOO]- 414.12665 203.8
[M+CH3COO]- 428.14230 211.2
[M+Na-2H]- 390.10312 185.8
[M]+ 369.12790 181.8
[M]- 369.12900 181.8
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.