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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	344.152416	182.4
[M+Na]+	366.134358	192.4
[M-H]-	342.137864	185.7
[M+NH4]+	361.178963	195.6
[M+K]+	382.108298	184.9
[M+H-H2O]+	326.142400	171.9
[M+HCOO]-	388.143341	198.2
[M+CH3COO]-	402.158991	192.8
[M+Na-2H]-	364.119806	185.9
[M]+	343.14459142	189.9
[M]-	343.14568858	189.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.