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
1
Annotation Hits

2
References

25
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

literature stripe

Patent stripe

patents stripe