CID 6478423

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

Structural Information

Molecular Formula
C12H17N4O5P
SMILES
C1C(=O)C2=C(N=C1N)N(C=N2)CCC(CO)/C=C/P(=O)(O)O
InChI
InChI=1S/C12H17N4O5P/c13-10-5-9(18)11-12(15-10)16(7-14-11)3-1-8(6-17)2-4-22(19,20)21/h2,4,7-8,17H,1,3,5-6H2,(H2,13,15)(H2,19,20,21)/b4-2+
InChIKey
NPJXWQBTMCRUOY-DUXPYHPUSA-N
Compound name
[(E)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.09366 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10094 175.4
[M+Na]+ 351.08288 181.1
[M-H]- 327.08638 170.5
[M+NH4]+ 346.12748 185.8
[M+K]+ 367.05682 177.7
[M+H-H2O]+ 311.09092 165.8
[M+HCOO]- 373.09186 193.7
[M+CH3COO]- 387.10751 203.2
[M+Na-2H]- 349.06833 174.3
[M]+ 328.09311 174.3
[M]- 328.09421 174.3
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.