PubChemLite - 1-[2-(imidazo(4,5-b)pyridin-2-yl]ethoxy]-2,6-bis(p-chlorophenyl)-3-methyl piperidin-4-one (C26H24Cl2N4O2)

Structural Information

Molecular Formula

SMILES

CC1C(N(C(CC1=O)C2=CC=C(C=C2)Cl)OCCC3=NC4=C(N3)C=CC=N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24Cl2N4O2/c1-16-23(33)15-22(17-4-8-19(27)9-5-17)32(25(16)18-6-10-20(28)11-7-18)34-14-12-24-30-21-3-2-13-29-26(21)31-24/h2-11,13,16,22,25H,12,14-15H2,1H3,(H,29,30,31)

InChIKey

NXZJUJDLABUPFF-UHFFFAOYSA-N

Compound name

2,6-bis(4-chlorophenyl)-1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-3-methylpiperidin-4-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]+	495.13490	219.2
[M+Na]+	517.11684	228.5
[M-H]-	493.12034	225.1
[M+NH4]+	512.16144	223.8
[M+K]+	533.09078	218.2
[M+H-H2O]+	477.12488	205.5
[M+HCOO]-	539.12582	222.8
[M+CH3COO]-	553.14147	225.3
[M+Na-2H]-	515.10229	216.1
[M]+	494.12707	221.9
[M]-	494.12817	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.13490

219.2

[M+Na]+

517.11684

228.5

[M-H]-

493.12034

225.1

[M+NH4]+

512.16144

223.8

[M+K]+

533.09078

218.2

[M+H-H2O]+

477.12488

205.5

[M+HCOO]-

539.12582

222.8

[M+CH3COO]-

553.14147

225.3

[M+Na-2H]-

515.10229

216.1

[M]+

494.12707

221.9

[M]-

494.12817

221.9

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

1-[2-(imidazo(4,5-b)pyridin-2-yl]ethoxy]-2,6-bis(p-chlorophenyl)-3-methyl piperidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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