PubChemLite - 1-[2-(imidazo(4,5-b)pyridin-2-yl]ethoxy]-2,6-bis(p-chlorophenyl)piperidin-4-one (C25H22Cl2N4O2)

Structural Information

Molecular Formula

SMILES

C1C(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/C25H22Cl2N4O2/c26-18-7-3-16(4-8-18)22-14-20(32)15-23(17-5-9-19(27)10-6-17)31(22)33-13-11-24-29-21-2-1-12-28-25(21)30-24/h1-10,12,22-23H,11,13-15H2,(H,28,29,30)

InChIKey

QLERORIVGDTGQN-UHFFFAOYSA-N

Compound name

2,6-bis(4-chlorophenyl)-1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]piperidin-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]+	481.11925	213.7
[M+Na]+	503.10119	222.6
[M-H]-	479.10469	219.5
[M+NH4]+	498.14579	218.6
[M+K]+	519.07513	212.5
[M+H-H2O]+	463.10923	200.0
[M+HCOO]-	525.11017	217.7
[M+CH3COO]-	539.12582	220.0
[M+Na-2H]-	501.08664	212.0
[M]+	480.11142	215.7
[M]-	480.11252	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.11925

213.7

[M+Na]+

503.10119

222.6

[M-H]-

479.10469

219.5

[M+NH4]+

498.14579

218.6

[M+K]+

519.07513

212.5

[M+H-H2O]+

463.10923

200.0

[M+HCOO]-

525.11017

217.7

[M+CH3COO]-

539.12582

220.0

[M+Na-2H]-

501.08664

212.0

[M]+

480.11142

215.7

[M]-

480.11252

215.7

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)piperidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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