CID 135428158

Penciclovir diacetate

Structural Information

Molecular Formula
C14H19N5O5
SMILES
CC(=O)OCC(CCN1C=NC2=C1N=C(NC2=O)N)COC(=O)C
InChI
InChI=1S/C14H19N5O5/c1-8(20)23-5-10(6-24-9(2)21)3-4-19-7-16-11-12(19)17-14(15)18-13(11)22/h7,10H,3-6H2,1-2H3,(H3,15,17,18,22)
InChIKey
KQURMIWGELPUHQ-UHFFFAOYSA-N
Compound name
[2-(acetyloxymethyl)-4-(2-amino-6-oxo-1H-purin-9-yl)butyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

337.1386 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 175.7
[M+Na]+ 360.12782 184.1
[M+NH4]+ 355.17242 177.5
[M+K]+ 376.10176 184.2
[M-H]- 336.13132 171.8
[M+Na-2H]- 358.11327 176.1
[M]+ 337.13805 175.0
[M]- 337.13915 175.0
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