CID 469785

Methyl 3-[[(4-fluorophenoxy)-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]-2-methyl-propanoate

Structural Information

Molecular Formula
C21H27FN3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(NCC(C)C(=O)OC)OC3=CC=C(C=C3)F
InChI
InChI=1S/C21H27FN3O8P/c1-13(20(27)30-3)10-23-34(29,33-16-6-4-15(22)5-7-16)31-12-17-8-9-18(32-17)25-11-14(2)19(26)24-21(25)28/h4-7,11,13,17-18H,8-10,12H2,1-3H3,(H,23,29)(H,24,26,28)/t13?,17-,18+,34?/m0/s1
InChIKey
CNNLULAJCSHXQB-OZVOPWHRSA-N
Compound name
methyl 3-[[(4-fluorophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

499.15198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.15926 210.8
[M+Na]+ 522.14120 214.4
[M-H]- 498.14470 215.0
[M+NH4]+ 517.18580 214.0
[M+K]+ 538.11514 214.0
[M+H-H2O]+ 482.14924 197.7
[M+HCOO]- 544.15018 230.1
[M+CH3COO]- 558.16583 239.6
[M+Na-2H]- 520.12665 206.7
[M]+ 499.15143 214.6
[M]- 499.15253 214.6
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.