CID 455564

Imidazopyridazine 15b

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCOCC3=CC=CC=C3)Cl
InChI
InChI=1S/C19H22ClN3O/c1-15-17-11-12-18(20)22-23(17)19(21-15)10-6-3-7-13-24-14-16-8-4-2-5-9-16/h2,4-5,8-9,11-12H,3,6-7,10,13-14H2,1H3
InChIKey
DOKROGQKYMZEBP-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-7-(5-phenylmethoxypentyl)imidazo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 182.4
[M+Na]+ 366.13436 192.4
[M-H]- 342.13786 185.7
[M+NH4]+ 361.17896 195.6
[M+K]+ 382.10830 184.9
[M+H-H2O]+ 326.14240 171.9
[M+HCOO]- 388.14334 198.2
[M+CH3COO]- 402.15899 192.8
[M+Na-2H]- 364.11981 185.9
[M]+ 343.14459 189.9
[M]- 343.14569 189.9
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.