CID 469059

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-n-[(1s)-1-benzyl-2-methoxy-2-oxo-ethyl]phosphonamidic acid

Structural Information

Molecular Formula
C20H25N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OC)O)N=[N+]=[N-]
InChI
InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-14(23-25-21)16(34-17)11-33-35(30,31)24-15(19(28)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,27,29)(H2,24,30,31)/t14-,15-,16+,17+/m0/s1
InChIKey
LLKRILRSWBGHEO-MWDXBVQZSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

508.14716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15444 208.7
[M+Na]+ 531.13638 209.3
[M-H]- 507.13988 215.7
[M+NH4]+ 526.18098 210.4
[M+K]+ 547.11032 204.3
[M+H-H2O]+ 491.14442 199.8
[M+HCOO]- 553.14536 234.2
[M+CH3COO]- 567.16101 240.4
[M+Na-2H]- 529.12183 213.0
[M]+ 508.14661 208.0
[M]- 508.14771 208.0
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.