CID 3324

Famciclovir

Structural Information

Molecular Formula
C14H19N5O4
SMILES
CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C
InChI
InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
InChIKey
GGXKWVWZWMLJEH-UHFFFAOYSA-N
Compound name
[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

813
References

36292
Patents

321.1437 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15098 172.6
[M+Na]+ 344.13292 181.7
[M+NH4]+ 339.17752 175.7
[M+K]+ 360.10686 180.8
[M-H]- 320.13642 169.9
[M+Na-2H]- 342.11837 174.5
[M]+ 321.14315 172.5
[M]- 321.14425 172.5
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

patents stripe