CID 6334916

2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]ethoxymethylphosphinic acid

Structural Information

Molecular Formula
C7H11N5O5P
SMILES
C1=NC(=C(C(=N1)NCCOC[P+](=O)O)[N+](=O)[O-])N
InChI
InChI=1S/C7H10N5O5P/c8-6-5(12(13)14)7(11-3-10-6)9-1-2-17-4-18(15)16/h3H,1-2,4H2,(H3-,8,9,10,11,15,16)/p+1
InChIKey
AUFBJZALHODROQ-UHFFFAOYSA-O
Compound name
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethoxymethyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.04977 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05705 150.2
[M+Na]+ 299.03899 155.0
[M-H]- 275.04249 149.3
[M+NH4]+ 294.08359 161.1
[M+K]+ 315.01293 144.4
[M+H-H2O]+ 259.04703 147.0
[M+HCOO]- 321.04797 177.9
[M+CH3COO]- 335.06362 186.9
[M+Na-2H]- 297.02444 158.7
[M]+ 276.04922 147.6
[M]- 276.05032 147.6
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.