CID 3465283

2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CCCCC1=NC2=C(N1)C(=O)NNC2=O
InChI
InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChIKey
DQHJYYALMHIEAH-UHFFFAOYSA-N
Compound name
2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

208.09602 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 145.1
[M+Na]+ 231.085238 156.9
[M-H]- 207.088744 141.5
[M+NH4]+ 226.129843 160.0
[M+K]+ 247.059178 150.6
[M+H-H2O]+ 191.093280 137.7
[M+HCOO]- 253.094221 162.6
[M+CH3COO]- 267.109871 178.4
[M+Na-2H]- 229.070686 150.8
[M]+ 208.09547142 145.1
[M]- 208.09656858 145.1
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