CID 3011374

5-methyl-pmeo-dapy

Structural Information

Molecular Formula
C8H15N4O5P
SMILES
CC1=C(N=C(N=C1OCCOCP(=O)(O)O)N)N
InChI
InChI=1S/C8H15N4O5P/c1-5-6(9)11-8(10)12-7(5)17-3-2-16-4-18(13,14)15/h2-4H2,1H3,(H2,13,14,15)(H4,9,10,11,12)
InChIKey
JSPYZDUIKDWUQG-UHFFFAOYSA-N
Compound name
2-(2,6-diamino-5-methylpyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

49
Patents

278.078 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08528 161.2
[M+Na]+ 301.06722 168.1
[M-H]- 277.07072 158.0
[M+NH4]+ 296.11182 172.7
[M+K]+ 317.04116 166.6
[M+H-H2O]+ 261.07526 151.3
[M+HCOO]- 323.07620 185.6
[M+CH3COO]- 337.09185 199.0
[M+Na-2H]- 299.05267 162.8
[M]+ 278.07745 162.3
[M]- 278.07855 162.3
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