CID 3011381

5-bromo-pmeo-dapy

Structural Information

Molecular Formula
C7H12BrN4O5P
SMILES
C(COC1=NC(=NC(=C1Br)N)N)OCP(=O)(O)O
InChI
InChI=1S/C7H12BrN4O5P/c8-4-5(9)11-7(10)12-6(4)17-2-1-16-3-18(13,14)15/h1-3H2,(H2,13,14,15)(H4,9,10,11,12)
InChIKey
MAMRYEXIMYXFNT-UHFFFAOYSA-N
Compound name
2-(2,6-diamino-5-bromopyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

341.97287 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98015 168.5
[M+Na]+ 364.96209 178.1
[M-H]- 340.96559 167.8
[M+NH4]+ 360.00669 181.0
[M+K]+ 380.93603 166.8
[M+H-H2O]+ 324.97013 163.2
[M+HCOO]- 386.97107 189.9
[M+CH3COO]- 400.98672 205.0
[M+Na-2H]- 362.94754 171.1
[M]+ 341.97232 187.0
[M]- 341.97342 187.0
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

patents stripe