PubChemLite - 1690172-25-8 (C23H26FN5O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)

InChIKey

DTASTQAQBOZSRR-UHFFFAOYSA-N

Compound name

4-[8-tert-butyl-6-(4-fluorophenyl)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]+	424.21434	207.3
[M+Na]+	446.19628	216.9
[M-H]-	422.19978	209.9
[M+NH4]+	441.24088	214.8
[M+K]+	462.17022	209.3
[M+H-H2O]+	406.20432	195.4
[M+HCOO]-	468.20526	216.1
[M+CH3COO]-	482.22091	214.4
[M+Na-2H]-	444.18173	206.6
[M]+	423.20651	206.1
[M]-	423.20761	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.21434

207.3

[M+Na]+

446.19628

216.9

[M-H]-

422.19978

209.9

[M+NH4]+

441.24088

214.8

[M+K]+

462.17022

209.3

[M+H-H2O]+

406.20432

195.4

[M+HCOO]-

468.20526

216.1

[M+CH3COO]-

482.22091

214.4

[M+Na-2H]-

444.18173

206.6

[M]+

423.20651

206.1

[M]-

423.20761

206.1

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

1690172-25-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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