CID 16729354

2-[(1r)-1-[(6-amino-4-oxo-1,2-dihydro-1,3,5-triazin-3-yl)methyl]-2-hydroxy-ethoxy]ethylphosphonic acid

Structural Information

Molecular Formula
C8H17N4O6P
SMILES
C1N=C(NC(=O)N1C[C@H](CO)OCCP(=O)(O)O)N
InChI
InChI=1S/C8H17N4O6P/c9-7-10-5-12(8(14)11-7)3-6(4-13)18-1-2-19(15,16)17/h6,13H,1-5H2,(H2,15,16,17)(H3,9,10,11,14)/t6-/m1/s1
InChIKey
ZXGJTXIZLHITAN-ZCFIWIBFSA-N
Compound name
2-[(2R)-1-(6-amino-2-oxo-1,4-dihydro-1,3,5-triazin-3-yl)-3-hydroxypropan-2-yl]oxyethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.08856 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09584 166.4
[M+Na]+ 319.07778 170.2
[M-H]- 295.08128 158.6
[M+NH4]+ 314.12238 174.3
[M+K]+ 335.05172 168.3
[M+H-H2O]+ 279.08582 156.5
[M+HCOO]- 341.08676 182.6
[M+CH3COO]- 355.10241 194.6
[M+Na-2H]- 317.06323 165.7
[M]+ 296.08801 163.0
[M]- 296.08911 163.0
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.