CID 135459822

Ganciclovir di-o-acetate

Structural Information

Molecular Formula
C13H17N5O6
SMILES
CC(=O)OCC(COC(=O)C)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C13H17N5O6/c1-7(19)22-3-9(4-23-8(2)20)24-6-18-5-15-10-11(18)16-13(14)17-12(10)21/h5,9H,3-4,6H2,1-2H3,(H3,14,16,17,21)
InChIKey
NSZKHEYZLNPIEJ-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

339.1179 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12518 173.0
[M+Na]+ 362.10712 181.3
[M-H]- 338.11062 171.7
[M+NH4]+ 357.15172 182.7
[M+K]+ 378.08106 179.5
[M+H-H2O]+ 322.11516 164.1
[M+HCOO]- 384.11610 190.6
[M+CH3COO]- 398.13175 209.1
[M+Na-2H]- 360.09257 174.8
[M]+ 339.11735 179.2
[M]- 339.11845 179.2
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