CID 6335155

1-[(2r,5s)-5-(isopropoxyphosphonoyloxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H18N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)OC(C)C
InChI
InChI=1S/C13H17N2O6P/c1-8(2)21-22(18)19-7-10-4-5-11(20-10)15-6-9(3)12(16)14-13(15)17/h4-6,8,10-11H,7H2,1-3H3/p+1/t10-,11+/m0/s1
InChIKey
CIEUCZSHJLLZHB-WDEREUQCSA-O
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-oxo-propan-2-yloxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1196
Patents

329.09024 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09752 171.3
[M+Na]+ 352.07946 178.6
[M-H]- 328.08296 174.6
[M+NH4]+ 347.12406 182.4
[M+K]+ 368.05340 172.7
[M+H-H2O]+ 312.08750 163.7
[M+HCOO]- 374.08844 194.6
[M+CH3COO]- 388.10409 198.5
[M+Na-2H]- 350.06491 171.4
[M]+ 329.08969 175.2
[M]- 329.09079 175.2
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

patents stripe