CID 486077

[3-acetoxy-2-[(2-amino-6-fluoro-purin-9-yl)methoxy]propyl] propanoate

Structural Information

Molecular Formula
C14H18FN5O5
SMILES
CCC(=O)OCC(COC(=O)C)OCN1C=NC2=C1N=C(N=C2F)N
InChI
InChI=1S/C14H18FN5O5/c1-3-10(22)24-5-9(4-23-8(2)21)25-7-20-6-17-11-12(15)18-14(16)19-13(11)20/h6,9H,3-5,7H2,1-2H3,(H2,16,18,19)
InChIKey
MOSXFHYPNGSXOM-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-[(2-amino-6-fluoropurin-9-yl)methoxy]propyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1292 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13648 178.0
[M+Na]+ 378.11842 186.3
[M-H]- 354.12192 176.4
[M+NH4]+ 373.16302 187.8
[M+K]+ 394.09236 184.4
[M+H-H2O]+ 338.12646 167.7
[M+HCOO]- 400.12740 195.3
[M+CH3COO]- 414.14305 215.2
[M+Na-2H]- 376.10387 179.0
[M]+ 355.12865 184.7
[M]- 355.12975 184.7
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.