1-[2-(3h-imidazo[4,5-b]pyridin-2-yl)ethoxy]-3,5-dimethyl-2,6-diphenyl-piperidin-4-one (C27H28N4O2)

Structural Information

Molecular Formula

SMILES

CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)OCCC3=NC4=C(N3)C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-18-24(20-10-5-3-6-11-20)31(25(19(2)26(18)32)21-12-7-4-8-13-21)33-17-15-23-29-22-14-9-16-28-27(22)30-23/h3-14,16,18-19,24-25H,15,17H2,1-2H3,(H,28,29,30)

InChIKey

VKASWJYNWXELKE-UHFFFAOYSA-N

Compound name

1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-3,5-dimethyl-2,6-diphenylpiperidin-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]+	441.228496	212.0
[M+Na]+	463.210438	219.2
[M-H]-	439.213944	218.9
[M+NH4]+	458.255043	217.1
[M+K]+	479.184378	209.9
[M+H-H2O]+	423.218480	198.3
[M+HCOO]-	485.219421	225.1
[M+CH3COO]-	499.235071	218.7
[M+Na-2H]-	461.195886	210.5
[M]+	440.22067142	210.9
[M]-	440.22176858	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.228496

212.0

[M+Na]+

463.210438

219.2

[M-H]-

439.213944

218.9

[M+NH4]+

458.255043

217.1

[M+K]+

479.184378

209.9

[M+H-H2O]+

423.218480

198.3

[M+HCOO]-

485.219421

225.1

[M+CH3COO]-

499.235071

218.7

[M+Na-2H]-

461.195886

210.5

[M]+

440.22067142

210.9

[M]-

440.22176858

210.9

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]-3,5-dimethyl-2,6-diphenyl-piperidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe