CID 135410330

Acyclovir alaninate

Structural Information

Molecular Formula
C11H16N6O4
SMILES
C[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
InChI
InChI=1S/C11H16N6O4/c1-6(12)10(19)21-3-2-20-5-17-4-14-7-8(17)15-11(13)16-9(7)18/h4,6H,2-3,5,12H2,1H3,(H3,13,15,16,18)/t6-/m0/s1
InChIKey
MUIRAGHHRGAJMO-LURJTMIESA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.1233 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 164.0
[M+Na]+ 319.11252 172.8
[M-H]- 295.11602 162.4
[M+NH4]+ 314.15712 175.1
[M+K]+ 335.08646 169.7
[M+H-H2O]+ 279.12056 155.1
[M+HCOO]- 341.12150 183.2
[M+CH3COO]- 355.13715 204.0
[M+Na-2H]- 317.09797 167.2
[M]+ 296.12275 166.5
[M]- 296.12385 166.5
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

patents stripe