CID 3010212

[2-(2,6-diaminopurin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C10H16FN6O5P
SMILES
C1=NC2=C(N=C(N=C2N1CC(OCCF)OCP(=O)(O)O)N)N
InChI
InChI=1S/C10H16FN6O5P/c11-1-2-21-6(22-5-23(18,19)20)3-17-4-14-7-8(12)15-10(13)16-9(7)17/h4,6H,1-3,5H2,(H2,18,19,20)(H4,12,13,15,16)
InChIKey
UQTWIANLPABPSX-UHFFFAOYSA-N
Compound name
[2-(2,6-diaminopurin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0904 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09768 173.7
[M+Na]+ 373.07962 180.8
[M-H]- 349.08312 168.3
[M+NH4]+ 368.12422 182.2
[M+K]+ 389.05356 178.8
[M+H-H2O]+ 333.08766 162.1
[M+HCOO]- 395.08860 194.6
[M+CH3COO]- 409.10425 211.7
[M+Na-2H]- 371.06507 175.3
[M]+ 350.08985 175.5
[M]- 350.09095 175.5
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.