CID 5496460

Methyl (2s)-2-[[(2,6-dimethoxyphenoxy)-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C22H28N3O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=C(C=CC=C3OC)OC
InChI
InChI=1S/C22H28N3O10P/c1-13-11-25(22(28)23-20(13)26)18-10-9-15(34-18)12-33-36(29,24-14(2)21(27)32-5)35-19-16(30-3)7-6-8-17(19)31-4/h6-11,14-15,18H,12H2,1-5H3,(H,24,29)(H,23,26,28)/t14-,15-,18+,36?/m0/s1
InChIKey
CORURQLCIBVICV-YTZIHNTKSA-N
Compound name
methyl (2S)-2-[[(2,6-dimethoxyphenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

525.15125 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.15853 214.4
[M+Na]+ 548.14047 218.3
[M-H]- 524.14397 220.6
[M+NH4]+ 543.18507 216.5
[M+K]+ 564.11441 220.1
[M+H-H2O]+ 508.14851 201.9
[M+HCOO]- 570.14945 236.0
[M+CH3COO]- 584.16510 245.6
[M+Na-2H]- 546.12592 211.6
[M]+ 525.15070 223.9
[M]- 525.15180 223.9
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.