CID 5482008

Methyl (2s)-2-[[(4-fluorophenoxy)-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C20H25FN3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=C(C=C3)F
InChI
InChI=1S/C20H25FN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-7,10,13,16-17H,8-9,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16-,17+,33?/m0/s1
InChIKey
PGLQEDWZJDAWBF-MIOXLMGNSA-N
Compound name
methyl (2S)-2-[[(4-fluorophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.13632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.14360 206.3
[M+Na]+ 508.12554 210.3
[M-H]- 484.12904 210.7
[M+NH4]+ 503.17014 210.0
[M+K]+ 524.09948 210.1
[M+H-H2O]+ 468.13358 193.4
[M+HCOO]- 530.13452 226.0
[M+CH3COO]- 544.15017 236.7
[M+Na-2H]- 506.11099 202.7
[M]+ 485.13577 209.8
[M]- 485.13687 209.8
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.