CID 135422933

Acyclovir monophosphate

Structural Information

Molecular Formula
C8H12N5O6P
SMILES
C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
InChIKey
KUOAJOVOKFATQE-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

349
Patents

305.05252 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05980 162.9
[M+Na]+ 328.04174 171.7
[M-H]- 304.04524 158.0
[M+NH4]+ 323.08634 173.0
[M+K]+ 344.01568 169.3
[M+H-H2O]+ 288.04978 152.7
[M+HCOO]- 350.05072 184.8
[M+CH3COO]- 364.06637 196.7
[M+Na-2H]- 326.02719 166.7
[M]+ 305.05197 166.1
[M]- 305.05307 166.1
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