CID 5496076

Benzyl (2s)-2-[[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]-3-phenyl-propanoate

Structural Information

Molecular Formula
C32H32N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5
InChI
InChI=1S/C32H32N3O8P/c1-23-20-35(32(38)33-30(23)36)29-18-17-27(42-29)22-41-44(39,43-26-15-9-4-10-16-26)34-28(19-24-11-5-2-6-12-24)31(37)40-21-25-13-7-3-8-14-25/h2-18,20,27-29H,19,21-22H2,1H3,(H,34,39)(H,33,36,38)/t27-,28-,29+,44?/m0/s1
InChIKey
HICRJAYQOQGENT-VNEGFBPCSA-N
Compound name
benzyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.1927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.19998 239.4
[M+Na]+ 640.18192 239.2
[M-H]- 616.18542 249.8
[M+NH4]+ 635.22652 235.5
[M+K]+ 656.15586 237.8
[M+H-H2O]+ 600.18996 223.1
[M+HCOO]- 662.19090 258.6
[M+CH3COO]- 676.20655 259.2
[M+Na-2H]- 638.16737 235.9
[M]+ 617.19215 241.8
[M]- 617.19325 241.8
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.