CID 5355150

1h-imidazo[4,5-d]pyridazine-4,7-diamine

Structural Information

Molecular Formula
C5H6N6
SMILES
C1=NC2=C(N1)C(=NN=C2N)N
InChI
InChI=1S/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKey
UMLCZSAOYUCVKU-UHFFFAOYSA-N
Compound name
1H-imidazo[4,5-d]pyridazine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

150.0654 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 127.1
[M+Na]+ 173.05462 138.7
[M-H]- 149.05812 125.7
[M+NH4]+ 168.09922 144.6
[M+K]+ 189.02856 134.5
[M+H-H2O]+ 133.06266 119.3
[M+HCOO]- 195.06360 149.3
[M+CH3COO]- 209.07925 140.2
[M+Na-2H]- 171.04007 136.1
[M]+ 150.06485 124.4
[M]- 150.06595 124.4
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

patents stripe