CID 512302

Chembl113170

Structural Information

Molecular Formula
C8H15N4O5P
SMILES
C1=CN(C(=O)N=C1N)CC(CN)OCP(=O)(O)O
InChI
InChI=1S/C8H15N4O5P/c9-3-6(17-5-18(14,15)16)4-12-2-1-7(10)11-8(12)13/h1-2,6H,3-5,9H2,(H2,10,11,13)(H2,14,15,16)
InChIKey
COMAGLUUVJLFDY-UHFFFAOYSA-N
Compound name
[1-amino-3-(4-amino-2-oxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.078 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08528 160.0
[M+Na]+ 301.06722 166.0
[M-H]- 277.07072 156.6
[M+NH4]+ 296.11182 171.1
[M+K]+ 317.04116 164.5
[M+H-H2O]+ 261.07526 150.0
[M+HCOO]- 323.07620 183.7
[M+CH3COO]- 337.09185 197.8
[M+Na-2H]- 299.05267 161.2
[M]+ 278.07745 159.4
[M]- 278.07855 159.4
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.