CID 511196

1-[(2r,5s)-5-[[ethoxy(propylamino)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H24N3O6P
SMILES
CCCNP(=O)(OCC)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C15H24N3O6P/c1-4-8-16-25(21,22-5-2)23-10-12-6-7-13(24-12)18-9-11(3)14(19)17-15(18)20/h6-7,9,12-13H,4-5,8,10H2,1-3H3,(H,16,21)(H,17,19,20)/t12-,13+,25?/m0/s1
InChIKey
WTOAKUPHIUCXMG-HKFILKPHSA-N
Compound name
1-[(2R,5S)-5-[[ethoxy(propylamino)phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.14026 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14754 185.2
[M+Na]+ 396.12948 191.6
[M-H]- 372.13298 187.8
[M+NH4]+ 391.17408 194.6
[M+K]+ 412.10342 190.3
[M+H-H2O]+ 356.13752 174.3
[M+HCOO]- 418.13846 209.4
[M+CH3COO]- 432.15411 216.2
[M+Na-2H]- 394.11493 185.1
[M]+ 373.13971 191.1
[M]- 373.14081 191.1
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.