CID 135964534

Acyclovir-valine-glycine

Structural Information

Molecular Formula
C15H23N7O5
SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC(=O)CN
InChI
InChI=1S/C15H23N7O5/c1-8(2)10(19-9(23)5-16)14(25)27-4-3-26-7-22-6-18-11-12(22)20-15(17)21-13(11)24/h6,8,10H,3-5,7,16H2,1-2H3,(H,19,23)(H3,17,20,21,24)/t10-/m0/s1
InChIKey
HOHRTORVULTITN-JTQLQIEISA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.17606 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18334 185.2
[M+Na]+ 404.16528 190.6
[M-H]- 380.16878 183.5
[M+NH4]+ 399.20988 192.3
[M+K]+ 420.13922 188.6
[M+H-H2O]+ 364.17332 175.7
[M+HCOO]- 426.17426 202.6
[M+CH3COO]- 440.18991 224.2
[M+Na-2H]- 402.15073 185.6
[M]+ 381.17551 187.8
[M]- 381.17661 187.8
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.