CID 6475948

1-[(2r,5s)-5-[(e)-2-diphenoxyphosphorylvinyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H21N2O6P
SMILES
C1C[C@@H](O[C@@H]1/C=C/P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N4C=CC(=O)NC4=O
InChI
InChI=1S/C22H21N2O6P/c25-20-13-15-24(22(26)23-20)21-12-11-17(28-21)14-16-31(27,29-18-7-3-1-4-8-18)30-19-9-5-2-6-10-19/h1-10,13-17,21H,11-12H2,(H,23,25,26)/b16-14+/t17-,21+/m0/s1
InChIKey
XZOXPRDVPVCPKT-HTKCERMJSA-N
Compound name
1-[(2R,5S)-5-[(E)-2-diphenoxyphosphorylethenyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1137 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12098 200.3
[M+Na]+ 463.10292 205.0
[M-H]- 439.10642 208.3
[M+NH4]+ 458.14752 205.4
[M+K]+ 479.07686 201.5
[M+H-H2O]+ 423.11096 186.7
[M+HCOO]- 485.11190 221.9
[M+CH3COO]- 499.12755 221.9
[M+Na-2H]- 461.08837 199.3
[M]+ 440.11315 200.5
[M]- 440.11425 200.5
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.