CID 5270766

Besifovir

Structural Information

Molecular Formula
C10H14N5O4P
SMILES
C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
InChIKey
KDNSSKPZBDNJDF-UHFFFAOYSA-N
Compound name
[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

1214
Patents

299.07834 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08562 169.5
[M+Na]+ 322.06756 180.4
[M+NH4]+ 317.11216 175.3
[M+K]+ 338.04150 179.0
[M-H]- 298.07106 174.8
[M+Na-2H]- 320.05301 176.4
[M]+ 299.07779 173.3
[M]- 299.07889 173.3
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

patents stripe