CID 455573

Imidazopyridazine 37

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(C3=CC=CC=C3)O)Cl
InChI
InChI=1S/C20H24ClN3O/c1-15-17-13-14-19(21)23-24(17)20(22-15)12-8-3-2-7-11-18(25)16-9-5-4-6-10-16/h4-6,9-10,13-14,18,25H,2-3,7-8,11-12H2,1H3
InChIKey
GLBSNDUVYMWILA-UHFFFAOYSA-N
Compound name
7-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

357.1608 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 186.6
[M+Na]+ 380.15002 195.5
[M-H]- 356.15352 188.7
[M+NH4]+ 375.19462 198.5
[M+K]+ 396.12396 187.5
[M+H-H2O]+ 340.15806 176.7
[M+HCOO]- 402.15900 199.8
[M+CH3COO]- 416.17465 195.9
[M+Na-2H]- 378.13547 188.3
[M]+ 357.16025 192.3
[M]- 357.16135 192.3
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

patents stripe