PubChemLite - Imidazopyridazine derivative 7 (C24H26F3N5O2)

Structural Information

Molecular Formula

SMILES

CC1(C(=O)NCCN1C(=O)C2=CN3C(=N2)C(=CC(=N3)C4=CC=C(C=C4)C(F)(F)F)C(C)(C)C)C

InChI

InChI=1S/C24H26F3N5O2/c1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,28,34)

InChIKey

GVNHDAXNAQFWSN-UHFFFAOYSA-N

Compound name

4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one

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]+	474.21114	218.2
[M+Na]+	496.19308	227.8
[M-H]-	472.19658	218.4
[M+NH4]+	491.23768	223.7
[M+K]+	512.16702	219.9
[M+H-H2O]+	456.20112	205.1
[M+HCOO]-	518.20206	222.9
[M+CH3COO]-	532.21771	234.1
[M+Na-2H]-	494.17853	217.2
[M]+	473.20331	214.6
[M]-	473.20441	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.21114

218.2

[M+Na]+

496.19308

227.8

[M-H]-

472.19658

218.4

[M+NH4]+

491.23768

223.7

[M+K]+

512.16702

219.9

[M+H-H2O]+

456.20112

205.1

[M+HCOO]-

518.20206

222.9

[M+CH3COO]-

532.21771

234.1

[M+Na-2H]-

494.17853

217.2

[M]+

473.20331

214.6

[M]-

473.20441

214.6

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

Imidazopyridazine derivative 7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe