CID 472216

Chembl65393

Structural Information

Molecular Formula

C₉H₁₄N₅O₄P

SMILES

C1=C2C(=C(N=C1N)N)N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P/c10-7-3-6-8(9(11)13-7)12-4-14(6)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H4,10,11,13)(H2,15,16,17)

InChIKey

JRUXMKVJBBRHTB-UHFFFAOYSA-N

Compound name

2-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.07834 Da
Monoisotopic Mass: -2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.085616	161.8
[M+Na]+	310.067558	170.2
[M-H]-	286.071064	158.9
[M+NH4]+	305.112163	174.5
[M+K]+	326.041498	167.5
[M+H-H2O]+	270.075600	151.9
[M+HCOO]-	332.076541	186.3
[M+CH3COO]-	346.092191	199.8
[M+Na-2H]-	308.053006	164.9
[M]+	287.07779142	163.2
[M]-	287.07888858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.