CID 44179727

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

Structural Information

Molecular Formula
C20H26N3O8P
SMILES
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O)OC3=CC=CC=C3
InChI
InChI=1S/C20H26N3O8P/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/h4-8,11-12,14,16,18H,3,9-10,13H2,1-2H3,(H,22,27)(H,21,24,26)/t14-,16-,18+,32?/m0/s1
InChIKey
WIJJAWHCCSVPJY-LYAGHKFGSA-N
Compound name
ethyl (2S)-2-[[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

467.14575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.15303 202.6
[M+Na]+ 490.13497 204.7
[M-H]- 466.13847 207.5
[M+NH4]+ 485.17957 206.5
[M+K]+ 506.10891 204.9
[M+H-H2O]+ 450.14301 190.0
[M+HCOO]- 512.14395 223.3
[M+CH3COO]- 526.15960 231.3
[M+Na-2H]- 488.12042 200.7
[M]+ 467.14520 206.1
[M]- 467.14630 206.1
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.