CID 513845

[(2s,3s,6r)-3-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-2-methyl-3,6-dihydro-2h-pyran-6-yl]phosphonic acid

Structural Information

Molecular Formula
C11H16N3O5P
SMILES
C[C@H]1[C@H](C=C[C@H](O1)P(=O)(O)O)N2C=C(C(=NC2=O)N)C
InChI
InChI=1S/C11H16N3O5P/c1-6-5-14(11(15)13-10(6)12)8-3-4-9(19-7(8)2)20(16,17)18/h3-5,7-9H,1-2H3,(H2,12,13,15)(H2,16,17,18)/t7-,8-,9+/m0/s1
InChIKey
OMGYHUJGENQCOM-XHNCKOQMSA-N
Compound name
[(2S,3S,6R)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-methyl-3,6-dihydro-2H-pyran-6-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.08276 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09004 169.9
[M+Na]+ 324.07198 178.0
[M-H]- 300.07548 171.2
[M+NH4]+ 319.11658 179.8
[M+K]+ 340.04592 176.2
[M+H-H2O]+ 284.08002 159.5
[M+HCOO]- 346.08096 190.6
[M+CH3COO]- 360.09661 202.0
[M+Na-2H]- 322.05743 170.2
[M]+ 301.08221 169.2
[M]- 301.08331 169.2
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

No patent data available for this compound.