CID 513829

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

Structural Information

Molecular Formula
C10H14N3O6P
SMILES
C1=C[C@@H](O[C@@H]([C@@H]1N2C=CC(=NC2=O)N)CO)P(=O)(O)O
InChI
InChI=1S/C10H14N3O6P/c11-8-3-4-13(10(15)12-8)6-1-2-9(20(16,17)18)19-7(6)5-14/h1-4,6-7,9,14H,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,9+/m1/s1
InChIKey
RIMWJMIMBQFXCD-BHNWBGBOSA-N
Compound name
[(2S,3R,6S)-3-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.062 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06928 167.6
[M+Na]+ 326.05122 174.4
[M-H]- 302.05472 167.3
[M+NH4]+ 321.09582 176.2
[M+K]+ 342.02516 172.8
[M+H-H2O]+ 286.05926 157.1
[M+HCOO]- 348.06020 187.3
[M+CH3COO]- 362.07585 198.0
[M+Na-2H]- 324.03667 168.9
[M]+ 303.06145 165.7
[M]- 303.06255 165.7
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.