CID 493055

Chembl56641

Structural Information

Molecular Formula
C10H19N3O10P2
SMILES
C1=C(N=C(N=C1OCCOCP(=O)(O)O)N)OCCOCP(=O)(O)O
InChI
InChI=1S/C10H19N3O10P2/c11-10-12-8(22-3-1-20-6-24(14,15)16)5-9(13-10)23-4-2-21-7-25(17,18)19/h5H,1-4,6-7H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)
InChIKey
WDUNNCVIFDTFOC-UHFFFAOYSA-N
Compound name
2-[2-amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

403.05457 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06185 184.2
[M+Na]+ 426.04379 187.0
[M-H]- 402.04729 176.9
[M+NH4]+ 421.08839 174.2
[M+K]+ 442.01773 188.0
[M+H-H2O]+ 386.05183 171.3
[M+HCOO]- 448.05277 195.3
[M+CH3COO]- 462.06842 213.3
[M+Na-2H]- 424.02924 186.2
[M]+ 403.05402 189.7
[M]- 403.05512 189.7
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