PubChemLite - Imidazo[1,2-b]pyridazine derivative 1 (C24H24FN5O)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=CC(=CC=C1)F)NC2=NN3C(=NC=C3C4=CC=C(C=C4)OC[C@@H]5CCN5)C=C2

InChI

InChI=1S/C24H24FN5O/c1-16(18-3-2-4-19(25)13-18)28-23-9-10-24-27-14-22(30(24)29-23)17-5-7-21(8-6-17)31-15-20-11-12-26-20/h2-10,13-14,16,20,26H,11-12,15H2,1H3,(H,28,29)/t16-,20+/m1/s1

InChIKey

FQCGOBGLJQWKJA-UZLBHIALSA-N

Compound name

3-[4-[[(2S)-azetidin-2-yl]methoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

Related CIDs

2D Structure

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]+	418.20378	199.3
[M+Na]+	440.18572	205.0
[M-H]-	416.18922	204.6
[M+NH4]+	435.23032	199.1
[M+K]+	456.15966	200.0
[M+H-H2O]+	400.19376	180.2
[M+HCOO]-	462.19470	213.6
[M+CH3COO]-	476.21035	205.8
[M+Na-2H]-	438.17117	200.4
[M]+	417.19595	206.3
[M]-	417.19705	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.20378

199.3

[M+Na]+

440.18572

205.0

[M-H]-

416.18922

204.6

[M+NH4]+

435.23032

199.1

[M+K]+

456.15966

200.0

[M+H-H2O]+

400.19376

180.2

[M+HCOO]-

462.19470

213.6

[M+CH3COO]-

476.21035

205.8

[M+Na-2H]-

438.17117

200.4

[M]+

417.19595

206.3

[M]-

417.19705

206.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Imidazo[1,2-b]pyridazine derivative 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe