CID 6320132

(2s)-2-(2,4-dichloro-5-methoxy-phenoxy)-n-[[(2r,3s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]propanamide

Structural Information

Molecular Formula
C21H25Cl2N3O7
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)[C@H](C)OC3=C(C=C(C(=C3)OC)Cl)Cl)O
InChI
InChI=1S/C21H25Cl2N3O7/c1-4-11-9-26(21(30)25-20(11)29)18-6-14(27)17(33-18)8-24-19(28)10(2)32-16-7-15(31-3)12(22)5-13(16)23/h5,7,9-10,14,17-18,27H,4,6,8H2,1-3H3,(H,24,28)(H,25,29,30)/t10-,14-,17+,18+/m0/s1
InChIKey
UPPRQMAGMXLVRZ-COHNBNRFSA-N
Compound name
(2S)-2-(2,4-dichloro-5-methoxyphenoxy)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

501.10696 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11424 211.2
[M+Na]+ 524.09618 219.0
[M-H]- 500.09968 217.1
[M+NH4]+ 519.14078 216.0
[M+K]+ 540.07012 214.9
[M+H-H2O]+ 484.10422 203.4
[M+HCOO]- 546.10516 217.1
[M+CH3COO]- 560.12081 237.4
[M+Na-2H]- 522.08163 205.8
[M]+ 501.10641 218.8
[M]- 501.10751 218.8
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.