CID 471289

9-[2-[diethoxyphosphoryl(fluoro)methoxy]ethyl]purin-6-amine

Structural Information

Molecular Formula
C12H19FN5O4P
SMILES
CCOP(=O)(C(OCCN1C=NC2=C(N=CN=C21)N)F)OCC
InChI
InChI=1S/C12H19FN5O4P/c1-3-21-23(19,22-4-2)12(13)20-6-5-18-8-17-9-10(14)15-7-16-11(9)18/h7-8,12H,3-6H2,1-2H3,(H2,14,15,16)
InChIKey
JVRXLVSALDJZDI-UHFFFAOYSA-N
Compound name
9-[2-[diethoxyphosphoryl(fluoro)methoxy]ethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11588 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12316 177.8
[M+Na]+ 370.10510 185.4
[M-H]- 346.10860 174.6
[M+NH4]+ 365.14970 188.2
[M+K]+ 386.07904 183.7
[M+H-H2O]+ 330.11314 165.2
[M+HCOO]- 392.11408 200.4
[M+CH3COO]- 406.12973 213.5
[M+Na-2H]- 368.09055 179.6
[M]+ 347.11533 183.9
[M]- 347.11643 183.9
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.