CID 135398742

Valacyclovir

Structural Information

Molecular Formula
C13H20N6O4
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
InChI
InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
InChIKey
HDOVUKNUBWVHOX-QMMMGPOBSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1670
References

36724
Patents

324.1546 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16188 173.1
[M+Na]+ 347.14382 180.7
[M-H]- 323.14732 171.4
[M+NH4]+ 342.18842 183.1
[M+K]+ 363.11776 177.9
[M+H-H2O]+ 307.15186 164.1
[M+HCOO]- 369.15280 190.7
[M+CH3COO]- 383.16845 210.9
[M+Na-2H]- 345.12927 174.3
[M]+ 324.15405 175.7
[M]- 324.15515 175.7
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.