CID 135484993

Nsc683330

Structural Information

Molecular Formula
C7H14N5O5P
SMILES
C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)N
InChI
InChI=1S/C7H14N5O5P/c8-4-5(11-7(9)12-6(4)13)10-1-2-17-3-18(14,15)16/h1-3,8H2,(H2,14,15,16)(H4,9,10,11,12,13)
InChIKey
OQZJUTCBVYTWKE-UHFFFAOYSA-N
Compound name
2-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.07324 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08052 158.7
[M+Na]+ 302.06246 164.8
[M-H]- 278.06596 154.3
[M+NH4]+ 297.10706 168.9
[M+K]+ 318.03640 162.3
[M+H-H2O]+ 262.07050 148.7
[M+HCOO]- 324.07144 183.0
[M+CH3COO]- 338.08709 198.9
[M+Na-2H]- 300.04791 160.8
[M]+ 279.07269 156.0
[M]- 279.07379 156.0
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.