CID 472224

Chembl65278

Structural Information

Molecular Formula
C9H13N4O5P
SMILES
C1=C(NC(=O)C2=C1N(C=N2)CCOCP(=O)(O)O)N
InChI
InChI=1S/C9H13N4O5P/c10-7-3-6-8(9(14)12-7)11-4-13(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H3,10,12,14)(H2,15,16,17)
InChIKey
WMCPULHYHQSPPF-UHFFFAOYSA-N
Compound name
2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.06235 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06963 161.5
[M+Na]+ 311.05157 170.4
[M-H]- 287.05507 157.7
[M+NH4]+ 306.09617 173.9
[M+K]+ 327.02551 167.1
[M+H-H2O]+ 271.05961 152.0
[M+HCOO]- 333.06055 184.3
[M+CH3COO]- 347.07620 194.2
[M+Na-2H]- 309.03702 164.6
[M]+ 288.06180 163.4
[M]- 288.06290 163.4
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.