CID 455576

Imidazopyridazine 17d

Structural Information

Molecular Formula
C22H26ClN3O
SMILES
CC(C)C1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C22H26ClN3O/c1-16(2)22-18-14-15-20(23)25-26(18)21(24-22)13-9-4-3-8-12-19(27)17-10-6-5-7-11-17/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3
InChIKey
HFDFYYBSVSRBDW-UHFFFAOYSA-N
Compound name
7-(2-chloro-5-propan-2-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

383.17645 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18373 194.8
[M+Na]+ 406.16567 203.2
[M-H]- 382.16917 198.0
[M+NH4]+ 401.21027 206.1
[M+K]+ 422.13961 195.4
[M+H-H2O]+ 366.17371 184.3
[M+HCOO]- 428.17465 207.9
[M+CH3COO]- 442.19030 220.7
[M+Na-2H]- 404.15112 194.7
[M]+ 383.17590 201.7
[M]- 383.17700 201.7
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.