CID 455566

Imidazopyridazine 15d

Structural Information

Molecular Formula
C20H24ClN3
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCCC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H24ClN3/c1-16-18-14-15-19(21)23-24(18)20(22-16)13-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,14-15H,2-4,6,9-10,13H2,1H3
InChIKey
UJFJCVRFWFUVBF-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-7-(7-phenylheptyl)imidazo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16586 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17314 184.1
[M+Na]+ 364.15508 193.8
[M-H]- 340.15858 187.1
[M+NH4]+ 359.19968 197.4
[M+K]+ 380.12902 185.5
[M+H-H2O]+ 324.16312 173.5
[M+HCOO]- 386.16406 199.4
[M+CH3COO]- 400.17971 194.2
[M+Na-2H]- 362.14053 187.0
[M]+ 341.16531 190.6
[M]- 341.16641 190.6
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.