CID 65905

Rociclovir

Structural Information

Molecular Formula
C15H25N5O3
SMILES
CC(C)OCC(COC(C)C)OCN1C=NC2=CN=C(N=C21)N
InChI
InChI=1S/C15H25N5O3/c1-10(2)21-6-12(7-22-11(3)4)23-9-20-8-18-13-5-17-15(16)19-14(13)20/h5,8,10-12H,6-7,9H2,1-4H3,(H2,16,17,19)
InChIKey
FBHWXSOQXQBXER-UHFFFAOYSA-N
Compound name
9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

267
Patents

323.19574 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20302 175.6
[M+Na]+ 346.18496 184.8
[M+NH4]+ 341.22956 179.6
[M+K]+ 362.15890 183.3
[M-H]- 322.18846 173.9
[M+Na-2H]- 344.17041 177.9
[M]+ 323.19519 176.0
[M]- 323.19629 176.0
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