CID 493060

(r)-pmpo-dapy

Structural Information

Molecular Formula
C8H15N4O5P
SMILES
C[C@H](COC1=NC(=NC(=C1)N)N)OCP(=O)(O)O
InChI
InChI=1S/C8H15N4O5P/c1-5(17-4-18(13,14)15)3-16-7-2-6(9)11-8(10)12-7/h2,5H,3-4H2,1H3,(H2,13,14,15)(H4,9,10,11,12)/t5-/m1/s1
InChIKey
XAPMDHJOWAAMOY-RXMQYKEDSA-N
Compound name
[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

278.078 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08528 160.8
[M+Na]+ 301.06722 166.5
[M-H]- 277.07072 157.4
[M+NH4]+ 296.11182 172.0
[M+K]+ 317.04116 165.6
[M+H-H2O]+ 261.07526 150.8
[M+HCOO]- 323.07620 184.3
[M+CH3COO]- 337.09185 198.6
[M+Na-2H]- 299.05267 162.0
[M]+ 278.07745 160.9
[M]- 278.07855 160.9
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.