CID 503795

5-(5-amino-7-oxo-6h-imidazo[4,5-b]pyridin-3-yl)pentylphosphonic acid

Structural Information

Molecular Formula
C11H17N4O4P
SMILES
C1C(=O)C2=C(N=C1N)N(C=N2)CCCCCP(=O)(O)O
InChI
InChI=1S/C11H17N4O4P/c12-9-6-8(16)10-11(14-9)15(7-13-10)4-2-1-3-5-20(17,18)19/h7H,1-6H2,(H2,12,14)(H2,17,18,19)
InChIKey
PNQHVMZYLFUUID-UHFFFAOYSA-N
Compound name
5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)pentylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.09875 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10603 169.3
[M+Na]+ 323.08797 176.1
[M-H]- 299.09147 165.7
[M+NH4]+ 318.13257 181.8
[M+K]+ 339.06191 172.9
[M+H-H2O]+ 283.09601 159.5
[M+HCOO]- 345.09695 190.0
[M+CH3COO]- 359.11260 200.6
[M+Na-2H]- 321.07342 169.8
[M]+ 300.09820 169.7
[M]- 300.09930 169.7
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

No patent data available for this compound.