CID 44179878

Ethyl (2s)-2-[[[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C20H24N3O8P
SMILES
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=CC(=O)NC2=O)OC3=CC=CC=C3
InChI
InChI=1S/C20H24N3O8P/c1-3-28-19(25)14(2)22-32(27,31-15-7-5-4-6-8-15)29-13-16-9-10-18(30-16)23-12-11-17(24)21-20(23)26/h4-12,14,16,18H,3,13H2,1-2H3,(H,22,27)(H,21,24,26)/t14-,16-,18+,32?/m0/s1
InChIKey
FBKDMPDGKMJBGR-LYAGHKFGSA-N
Compound name
ethyl (2S)-2-[[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

465.1301 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13738 202.2
[M+Na]+ 488.11932 205.3
[M-H]- 464.12282 207.6
[M+NH4]+ 483.16392 206.2
[M+K]+ 504.09326 205.3
[M+H-H2O]+ 448.12736 189.5
[M+HCOO]- 510.12830 224.3
[M+CH3COO]- 524.14395 230.9
[M+Na-2H]- 486.10477 201.1
[M]+ 465.12955 207.0
[M]- 465.13065 207.0
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.