CID 16729357

[(1s)-2-(4-amino-2-oxo-1,3,5-triazin-1-yl)-1-methyl-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C7H13N4O5P
SMILES
C[C@@H](CN1C=NC(=NC1=O)N)OCP(=O)(O)O
InChI
InChI=1S/C7H13N4O5P/c1-5(16-4-17(13,14)15)2-11-3-9-6(8)10-7(11)12/h3,5H,2,4H2,1H3,(H2,8,10,12)(H2,13,14,15)/t5-/m0/s1
InChIKey
IDSOVUSDCVUOLN-YFKPBYRVSA-N
Compound name
[(2S)-1-(4-amino-2-oxo-1,3,5-triazin-1-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.06235 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06963 156.8
[M+Na]+ 287.05157 164.2
[M-H]- 263.05507 152.8
[M+NH4]+ 282.09617 167.9
[M+K]+ 303.02551 162.9
[M+H-H2O]+ 247.05961 146.8
[M+HCOO]- 309.06055 179.1
[M+CH3COO]- 323.07620 192.7
[M+Na-2H]- 285.03702 159.1
[M]+ 264.06180 158.2
[M]- 264.06290 158.2
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.