PubChemLite - 1-[2-(3h-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)piperidin-4-one (C27H28N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2CC(=O)CC(N2OCCC3=NC4=C(N3)C=CC=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H28N4O4/c1-33-21-9-5-18(6-10-21)24-16-20(32)17-25(19-7-11-22(34-2)12-8-19)31(24)35-15-13-26-29-23-4-3-14-28-27(23)30-26/h3-12,14,24-25H,13,15-17H2,1-2H3,(H,28,29,30)

InChIKey

PZVJHVJKKDQVJA-UHFFFAOYSA-N

Compound name

1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)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]+	473.21834	216.4
[M+Na]+	495.20028	222.8
[M-H]-	471.20378	223.3
[M+NH4]+	490.24488	219.8
[M+K]+	511.17422	215.3
[M+H-H2O]+	455.20832	202.3
[M+HCOO]-	517.20926	229.6
[M+CH3COO]-	531.22491	222.6
[M+Na-2H]-	493.18573	215.3
[M]+	472.21051	217.9
[M]-	472.21161	217.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.21834

216.4

[M+Na]+

495.20028

222.8

[M-H]-

471.20378

223.3

[M+NH4]+

490.24488

219.8

[M+K]+

511.17422

215.3

[M+H-H2O]+

455.20832

202.3

[M+HCOO]-

517.20926

229.6

[M+CH3COO]-

531.22491

222.6

[M+Na-2H]-

493.18573

215.3

[M]+

472.21051

217.9

[M]-

472.21161

217.9

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe