CID 6335158

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

Structural Information

Molecular Formula
C16H22N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)OC3CCCCC3
InChI
InChI=1S/C16H21N2O6P/c1-11-9-18(16(20)17-15(11)19)14-8-7-13(23-14)10-22-25(21)24-12-5-3-2-4-6-12/h7-9,12-14H,2-6,10H2,1H3/p+1/t13-,14+/m0/s1
InChIKey
XGECURGNFFGHOR-UONOGXRCSA-O
Compound name
cyclohexyloxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

667
Patents

369.12155 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12883 183.3
[M+Na]+ 392.11077 187.4
[M-H]- 368.11427 188.3
[M+NH4]+ 387.15537 191.8
[M+K]+ 408.08471 180.4
[M+H-H2O]+ 352.11881 174.0
[M+HCOO]- 414.11975 203.3
[M+CH3COO]- 428.13540 204.0
[M+Na-2H]- 390.09622 181.9
[M]+ 369.12100 181.7
[M]- 369.12210 181.7
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