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
8
Annotation Hits

1658
References

37036
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 172.2
[M+Na]+ 347.14382 179.6
[M+NH4]+ 342.18842 174.4
[M+K]+ 363.11776 180.3
[M-H]- 323.14732 169.2
[M+Na-2H]- 345.12927 172.7
[M]+ 324.15405 171.6
[M]- 324.15515 171.6
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