CID 513834

[(2s,3s)-3-(4-amino-2-oxo-pyrimidin-1-yl)-2-methyl-3,4-dihydro-2h-pyran-6-yl]phosphonic acid

Structural Information

Molecular Formula
C10H14N3O5P
SMILES
C[C@H]1[C@H](CC=C(O1)P(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H14N3O5P/c1-6-7(2-3-9(18-6)19(15,16)17)13-5-4-8(11)12-10(13)14/h3-7H,2H2,1H3,(H2,11,12,14)(H2,15,16,17)/t6-,7-/m0/s1
InChIKey
SCXYSXKSZYRCBM-BQBZGAKWSA-N
Compound name
[(2S,3S)-3-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-3,4-dihydro-2H-pyran-6-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0671 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07438 164.8
[M+Na]+ 310.05632 172.4
[M-H]- 286.05982 165.9
[M+NH4]+ 305.10092 175.0
[M+K]+ 326.03026 170.8
[M+H-H2O]+ 270.06436 154.4
[M+HCOO]- 332.06530 185.9
[M+CH3COO]- 346.08095 197.6
[M+Na-2H]- 308.04177 166.3
[M]+ 287.06655 163.4
[M]- 287.06765 163.4
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.