CID 476087

2-(2-amino-6-morpholino-purin-9-yl)ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C12H19N6O5P
SMILES
C1COCCN1C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N
InChI
InChI=1S/C12H19N6O5P/c13-12-15-10(17-1-4-22-5-2-17)9-11(16-12)18(7-14-9)3-6-23-8-24(19,20)21/h7H,1-6,8H2,(H2,13,15,16)(H2,19,20,21)
InChIKey
PDIPQPVFEWTSNG-UHFFFAOYSA-N
Compound name
2-(2-amino-6-morpholin-4-ylpurin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.11545 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12273 181.5
[M+Na]+ 381.10467 187.3
[M-H]- 357.10817 179.2
[M+NH4]+ 376.14927 186.8
[M+K]+ 397.07861 185.3
[M+H-H2O]+ 341.11271 169.0
[M+HCOO]- 403.11365 197.8
[M+CH3COO]- 417.12930 209.7
[M+Na-2H]- 379.09012 182.9
[M]+ 358.11490 181.3
[M]- 358.11600 181.3
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.