CID 471291

Ethyl ammonium[2-(2,6-diaminopurin-9-yl)ethoxy]fluoromethylphosphonate

Structural Information

Molecular Formula
C10H16FN6O4P
SMILES
CCOP(=O)(C(OCCN1C=NC2=C(N=C(N=C21)N)N)F)O
InChI
InChI=1S/C10H16FN6O4P/c1-2-21-22(18,19)9(11)20-4-3-17-5-14-6-7(12)15-10(13)16-8(6)17/h5,9H,2-4H2,1H3,(H,18,19)(H4,12,13,15,16)
InChIKey
QZQGWYZNNBWBAO-UHFFFAOYSA-N
Compound name
[2-(2,6-diaminopurin-9-yl)ethoxy-fluoromethyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09546 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10274 172.2
[M+Na]+ 357.08468 180.1
[M-H]- 333.08818 168.0
[M+NH4]+ 352.12928 182.1
[M+K]+ 373.05862 178.0
[M+H-H2O]+ 317.09272 160.4
[M+HCOO]- 379.09366 194.4
[M+CH3COO]- 393.10931 211.4
[M+Na-2H]- 355.07013 173.7
[M]+ 334.09491 174.4
[M]- 334.09601 174.4
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.