CID 503794

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

Structural Information

Molecular Formula
C11H15F2N4O4P
SMILES
C1C(=O)C2=C(N=C1N)N(C=N2)CCCCC(F)(F)P(=O)(O)O
InChI
InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)3-1-2-4-17-6-15-9-7(18)5-8(14)16-10(9)17/h6H,1-5H2,(H2,14,16)(H2,19,20,21)
InChIKey
DLLHSOYKVSNBRQ-UHFFFAOYSA-N
Compound name
[5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-1,1-difluoropentyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.0799 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08718 175.8
[M+Na]+ 359.06912 183.0
[M-H]- 335.07262 169.8
[M+NH4]+ 354.11372 186.7
[M+K]+ 375.04306 179.5
[M+H-H2O]+ 319.07716 164.9
[M+HCOO]- 381.07810 192.7
[M+CH3COO]- 395.09375 206.5
[M+Na-2H]- 357.05457 176.7
[M]+ 336.07935 173.3
[M]- 336.08045 173.3
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.