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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08562 161.8
[M+Na]+ 310.06756 170.2
[M-H]- 286.07106 158.9
[M+NH4]+ 305.11216 174.5
[M+K]+ 326.04150 167.5
[M+H-H2O]+ 270.07560 151.9
[M+HCOO]- 332.07654 186.3
[M+CH3COO]- 346.09219 199.8
[M+Na-2H]- 308.05301 164.9
[M]+ 287.07779 163.2
[M]- 287.07889 163.2
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.