CID 135435110

2-amino-9-(5-fluoro-4-hydroxy-pentyl)-1h-purin-6-one

Structural Information

Molecular Formula
C10H14FN5O2
SMILES
C1=NC2=C(N1CCCC(CF)O)N=C(NC2=O)N
InChI
InChI=1S/C10H14FN5O2/c11-4-6(17)2-1-3-16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,1-4H2,(H3,12,14,15,18)
InChIKey
MBTRMPFDKVVDBN-UHFFFAOYSA-N
Compound name
2-amino-9-(5-fluoro-4-hydroxypentyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12044 154.9
[M+Na]+ 278.10238 165.1
[M-H]- 254.10588 150.8
[M+NH4]+ 273.14698 167.9
[M+K]+ 294.07632 159.9
[M+H-H2O]+ 238.11042 145.8
[M+HCOO]- 300.11136 171.8
[M+CH3COO]- 314.12701 192.6
[M+Na-2H]- 276.08783 158.7
[M]+ 255.11261 154.5
[M]- 255.11371 154.5
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.