CID 472219

Chembl293679

Structural Information

Molecular Formula
C8H14N3O5P
SMILES
CC1=CN(C(=O)N=C1N)CCOCP(=O)(O)O
InChI
InChI=1S/C8H14N3O5P/c1-6-4-11(8(12)10-7(6)9)2-3-16-5-17(13,14)15/h4H,2-3,5H2,1H3,(H2,9,10,12)(H2,13,14,15)
InChIKey
ANRSRNUQKZIQCX-UHFFFAOYSA-N
Compound name
2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.