CID 469788

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

Structural Information

Molecular Formula
C22H30N3O9P
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)OC
InChI
InChI=1S/C22H30N3O9P/c1-14(21(27)31-4)11-23-35(29,34-17-7-5-16(30-3)6-8-17)32-13-18-9-10-19(33-18)25-12-15(2)20(26)24-22(25)28/h5-8,12,14,18-19H,9-11,13H2,1-4H3,(H,23,29)(H,24,26,28)/t14?,18-,19+,35?/m0/s1
InChIKey
UJQRLPVIGJVCCX-FKRHSILMSA-N
Compound name
methyl 3-[[(4-methoxyphenoxy)-[[(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

511.17197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.17925 213.4
[M+Na]+ 534.16119 216.0
[M-H]- 510.16469 218.8
[M+NH4]+ 529.20579 215.9
[M+K]+ 550.13513 216.9
[M+H-H2O]+ 494.16923 200.9
[M+HCOO]- 556.17017 233.5
[M+CH3COO]- 570.18582 242.2
[M+Na-2H]- 532.14664 209.9
[M]+ 511.17142 219.9
[M]- 511.17252 219.9
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.