CID 455584

Imidazopyridazine 25

Structural Information

Molecular Formula
C25H32N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N4CCCCC4
InChI
InChI=1S/C25H32N4O/c1-20-22-16-17-25(28-18-10-5-11-19-28)27-29(22)24(26-20)15-9-3-2-8-14-23(30)21-12-6-4-7-13-21/h4,6-7,12-13,16-17H,2-3,5,8-11,14-15,18-19H2,1H3
InChIKey
TVEGKWWBEIDWHH-UHFFFAOYSA-N
Compound name
7-(5-methyl-2-piperidin-1-ylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.2576 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 203.4
[M+Na]+ 427.24682 207.9
[M-H]- 403.25032 207.1
[M+NH4]+ 422.29142 210.5
[M+K]+ 443.22076 200.2
[M+H-H2O]+ 387.25486 190.1
[M+HCOO]- 449.25580 216.5
[M+CH3COO]- 463.27145 209.9
[M+Na-2H]- 425.23227 202.3
[M]+ 404.25705 203.0
[M]- 404.25815 203.0
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.