CID 455582

Imidazopyridazine 21

Structural Information

Molecular Formula
C22H28N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C22H28N4O/c1-17-19-15-16-22(25(2)3)24-26(19)21(23-17)14-10-5-4-9-13-20(27)18-11-7-6-8-12-18/h6-8,11-12,15-16H,4-5,9-10,13-14H2,1-3H3
InChIKey
DREXCVSFPZENLE-UHFFFAOYSA-N
Compound name
7-[2-(dimethylamino)-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

364.22632 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23360 192.3
[M+Na]+ 387.21554 199.4
[M-H]- 363.21904 197.1
[M+NH4]+ 382.26014 203.9
[M+K]+ 403.18948 194.0
[M+H-H2O]+ 347.22358 181.1
[M+HCOO]- 409.22452 212.7
[M+CH3COO]- 423.24017 224.7
[M+Na-2H]- 385.20099 193.8
[M]+ 364.22577 198.3
[M]- 364.22687 198.3
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.