CID 135407139

2'-o-glycyl acyclovir

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1=NC2=C(N1COCCOC(=O)CN)N=C(NC2=O)N
InChI
InChI=1S/C10H14N6O4/c11-3-6(17)20-2-1-19-5-16-4-13-7-8(16)14-10(12)15-9(7)18/h4H,1-3,5,11H2,(H3,12,14,15,18)
InChIKey
LOOICXPOOTTXRR-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

31
Patents

282.10767 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 158.9
[M+Na]+ 305.09689 168.4
[M-H]- 281.10039 157.3
[M+NH4]+ 300.14149 170.7
[M+K]+ 321.07083 165.0
[M+H-H2O]+ 265.10493 150.0
[M+HCOO]- 327.10587 179.4
[M+CH3COO]- 341.12152 200.1
[M+Na-2H]- 303.08234 163.8
[M]+ 282.10712 161.6
[M]- 282.10822 161.6
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.