CID 3011373

Chembl358153

Structural Information

Molecular Formula
C8H15N4O5P
SMILES
CC1=C(N=C(N(C1=O)CCOCP(=O)(O)O)N)N
InChI
InChI=1S/C8H15N4O5P/c1-5-6(9)11-8(10)12(7(5)13)2-3-17-4-18(14,15)16/h2-4,9H2,1H3,(H2,10,11)(H2,14,15,16)
InChIKey
GOTBWNJKAPVVIU-UHFFFAOYSA-N
Compound name
2-(2,4-diamino-5-methyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.078 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08528 161.1
[M+Na]+ 301.06722 169.2
[M-H]- 277.07072 158.3
[M+NH4]+ 296.11182 172.9
[M+K]+ 317.04116 167.1
[M+H-H2O]+ 261.07526 151.5
[M+HCOO]- 323.07620 185.6
[M+CH3COO]- 337.09185 199.6
[M+Na-2H]- 299.05267 161.9
[M]+ 278.07745 161.9
[M]- 278.07855 161.9
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.