CID 472217

Chembl65177

Structural Information

Molecular Formula
C8H13N6O4P
SMILES
C1=NC2=C(N1CCOCP(=O)(O)O)C(=NN=C2N)N
InChI
InChI=1S/C8H13N6O4P/c9-7-5-6(8(10)13-12-7)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,9,12)(H2,10,13)(H2,15,16,17)
InChIKey
NHMOFSVPDDWJQZ-UHFFFAOYSA-N
Compound name
2-(4,7-diaminoimidazo[4,5-d]pyridazin-3-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.07358 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08086 161.9
[M+Na]+ 311.06280 170.6
[M-H]- 287.06630 157.9
[M+NH4]+ 306.10740 173.1
[M+K]+ 327.03674 167.9
[M+H-H2O]+ 271.07084 151.5
[M+HCOO]- 333.07178 185.2
[M+CH3COO]- 347.08743 199.9
[M+Na-2H]- 309.04825 165.4
[M]+ 288.07303 163.2
[M]- 288.07413 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.