CID 455585

Imidazopyridazine 28

Structural Information

Molecular Formula
C24H26N4O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N4C=CC=C4
InChI
InChI=1S/C24H26N4O/c1-19-21-15-16-24(27-17-9-10-18-27)26-28(21)23(25-19)14-8-3-2-7-13-22(29)20-11-5-4-6-12-20/h4-6,9-12,15-18H,2-3,7-8,13-14H2,1H3
InChIKey
RCEGBPPZJJCOLK-UHFFFAOYSA-N
Compound name
7-(5-methyl-2-pyrrol-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

386.21066 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 196.2
[M+Na]+ 409.19988 204.2
[M-H]- 385.20338 202.1
[M+NH4]+ 404.24448 206.5
[M+K]+ 425.17382 196.8
[M+H-H2O]+ 369.20792 184.4
[M+HCOO]- 431.20886 215.1
[M+CH3COO]- 445.22451 205.3
[M+Na-2H]- 407.18533 195.6
[M]+ 386.21011 200.9
[M]- 386.21121 200.9
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.