CID 455587

Imidazopyridazine 29

Structural Information

Molecular Formula
C22H24N6O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)N4C=NC=N4
InChI
InChI=1S/C22H24N6O/c1-17-19-13-14-22(27-16-23-15-24-27)26-28(19)21(25-17)12-8-3-2-7-11-20(29)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
InChIKey
QMYIPNLWNUVDLW-UHFFFAOYSA-N
Compound name
7-[5-methyl-2-(1,2,4-triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.20117 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20845 194.8
[M+Na]+ 411.19039 203.6
[M-H]- 387.19389 198.4
[M+NH4]+ 406.23499 202.2
[M+K]+ 427.16433 196.1
[M+H-H2O]+ 371.19843 181.9
[M+HCOO]- 433.19937 211.5
[M+CH3COO]- 447.21502 203.2
[M+Na-2H]- 409.17584 195.1
[M]+ 388.20062 199.7
[M]- 388.20172 199.7
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.