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

literature stripe

Patent stripe

patents stripe