CID 10428128

Adefovir monophosphate

Structural Information

Molecular Formula
C8H13N5O7P2
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)OP(=O)(O)O)N
InChI
InChI=1S/C8H13N5O7P2/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-19-5-21(14,15)20-22(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H2,9,10,11)(H2,16,17,18)
InChIKey
VQIHLCFUFNQXPS-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)ethoxymethyl-phosphonooxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

353.02902 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.03630 174.6
[M+Na]+ 376.01824 180.7
[M-H]- 352.02174 168.3
[M+NH4]+ 371.06284 182.5
[M+K]+ 391.99218 180.4
[M+H-H2O]+ 336.02628 162.2
[M+HCOO]- 398.02722 199.5
[M+CH3COO]- 412.04287 205.4
[M+Na-2H]- 374.00369 178.2
[M]+ 353.02847 178.2
[M]- 353.02957 178.2
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