CID 493045

2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid

Structural Information

Molecular Formula
C7H13N4O5P
SMILES
C1=C(N=C(N=C1OCCOCP(=O)(O)O)N)N
InChI
InChI=1S/C7H13N4O5P/c8-5-3-6(11-7(9)10-5)16-2-1-15-4-17(12,13)14/h3H,1-2,4H2,(H2,12,13,14)(H4,8,9,10,11)
InChIKey
GHXCAFKFSYKTJZ-UHFFFAOYSA-N
Compound name
2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

74
Patents

264.06235 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06963 156.0
[M+Na]+ 287.05157 162.6
[M+NH4]+ 282.09617 158.7
[M+K]+ 303.02551 162.0
[M-H]- 263.05507 153.0
[M+Na-2H]- 285.03702 157.4
[M]+ 264.06180 155.3
[M]- 264.06290 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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