CID 493046

Chembl57823

Structural Information

Molecular Formula
C8H14N3O5P
SMILES
CC1=CC(=O)N(C(=N1)N)CCOCP(=O)(O)O
InChI
InChI=1S/C8H14N3O5P/c1-6-4-7(12)11(8(9)10-6)2-3-16-5-17(13,14)15/h4H,2-3,5H2,1H3,(H2,9,10)(H2,13,14,15)
InChIKey
SUXAJZOCNRNJFX-UHFFFAOYSA-N
Compound name
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

263.0671 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07438 157.1
[M+Na]+ 286.05632 165.4
[M-H]- 262.05982 154.5
[M+NH4]+ 281.10092 170.0
[M+K]+ 302.03026 163.4
[M+H-H2O]+ 246.06436 147.8
[M+HCOO]- 308.06530 181.4
[M+CH3COO]- 322.08095 193.2
[M+Na-2H]- 284.04177 159.3
[M]+ 263.06655 159.5
[M]- 263.06765 159.5
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