CID 455580

Imidazopyridazine 24

Structural Information

Molecular Formula
C20H24N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C20H24N4O/c1-15-17-13-14-19(21)23-24(17)20(22-15)12-8-3-2-7-11-18(25)16-9-5-4-6-10-16/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H2,21,23)
InChIKey
KFQJSZXORIGHET-UHFFFAOYSA-N
Compound name
7-(2-amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.195 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 183.3
[M+Na]+ 359.18422 191.3
[M-H]- 335.18772 186.7
[M+NH4]+ 354.22882 195.3
[M+K]+ 375.15816 184.7
[M+H-H2O]+ 319.19226 172.8
[M+HCOO]- 381.19320 203.4
[M+CH3COO]- 395.20885 215.0
[M+Na-2H]- 357.16967 185.7
[M]+ 336.19445 186.5
[M]- 336.19555 186.5
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.