CID 16727448

[(2s,5r)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methyl methyl hydrogen phosphate

Structural Information

Molecular Formula
C11H14N5O5P
SMILES
COP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N5O5P/c1-19-22(17,18)20-4-7-2-3-8(21-7)16-6-15-9-10(12)13-5-14-11(9)16/h2-3,5-8H,4H2,1H3,(H,17,18)(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
PDFRETBSCHHGRG-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.07324 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08052 169.1
[M+Na]+ 350.06246 177.5
[M-H]- 326.06596 170.8
[M+NH4]+ 345.10706 179.9
[M+K]+ 366.03640 177.0
[M+H-H2O]+ 310.07050 158.3
[M+HCOO]- 372.07144 192.5
[M+CH3COO]- 386.08709 204.9
[M+Na-2H]- 348.04791 171.1
[M]+ 327.07269 173.7
[M]- 327.07379 173.7
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

No patent data available for this compound.