CID 135459832

Acyclovir l-isoleucinate

Structural Information

Molecular Formula
C14H22N6O4
SMILES
CC[C@H](C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
InChI
InChI=1S/C14H22N6O4/c1-3-8(2)9(15)13(22)24-5-4-23-7-20-6-17-10-11(20)18-14(16)19-12(10)21/h6,8-9H,3-5,7,15H2,1-2H3,(H3,16,18,19,21)/t8-,9-/m0/s1
InChIKey
DYTMGBXTNHPPNK-IUCAKERBSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S,3S)-2-amino-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.17026 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17754 177.4
[M+Na]+ 361.15948 184.6
[M-H]- 337.16298 175.5
[M+NH4]+ 356.20408 186.8
[M+K]+ 377.13342 181.6
[M+H-H2O]+ 321.16752 168.2
[M+HCOO]- 383.16846 194.6
[M+CH3COO]- 397.18411 213.8
[M+Na-2H]- 359.14493 178.2
[M]+ 338.16971 180.4
[M]- 338.17081 180.4
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