CID 472225

2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-yl)ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C9H14N4O5P
SMILES
C1=C(NC(=O)C2=C1NC=[N+]2CCOCP(=O)(O)O)N
InChI
InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)13(4-11-6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H5,10,12,14,15,16,17)/p+1
InChIKey
WMEMDQUQGZOVGB-UHFFFAOYSA-O
Compound name
2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0702 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07748 160.7
[M+Na]+ 312.05942 168.8
[M-H]- 288.06292 156.0
[M+NH4]+ 307.10402 172.0
[M+K]+ 328.03336 159.3
[M+H-H2O]+ 272.06746 154.2
[M+HCOO]- 334.06840 181.7
[M+CH3COO]- 348.08405 184.3
[M+Na-2H]- 310.04487 167.0
[M]+ 289.06965 159.3
[M]- 289.07075 159.3
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

No patent data available for this compound.