CID 6478422

[(e)-5-(5-amino-7-oxo-6h-imidazo[4,5-b]pyridin-3-yl)pent-1-enyl]phosphonic acid

Structural Information

Molecular Formula
C11H15N4O4P
SMILES
C1C(=O)C2=C(N=C1N)N(C=N2)CCC/C=C/P(=O)(O)O
InChI
InChI=1S/C11H15N4O4P/c12-9-6-8(16)10-11(14-9)15(7-13-10)4-2-1-3-5-20(17,18)19/h3,5,7H,1-2,4,6H2,(H2,12,14)(H2,17,18,19)/b5-3+
InChIKey
NSBBCULLUYUJGB-HWKANZROSA-N
Compound name
[(E)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)pent-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0831 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09038 168.5
[M+Na]+ 321.07232 175.7
[M-H]- 297.07582 164.9
[M+NH4]+ 316.11692 181.1
[M+K]+ 337.04626 171.9
[M+H-H2O]+ 281.08036 158.8
[M+HCOO]- 343.08130 189.4
[M+CH3COO]- 357.09695 199.1
[M+Na-2H]- 319.05777 169.0
[M]+ 298.08255 168.1
[M]- 298.08365 168.1
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

No patent data available for this compound.