PubChemLite - 1-[2-(3h-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3-methyl-piperidin-4-one (C28H30N4O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C28H30N4O4/c1-18-25(33)17-24(19-6-10-21(34-2)11-7-19)32(27(18)20-8-12-22(35-3)13-9-20)36-16-14-26-30-23-5-4-15-29-28(23)31-26/h4-13,15,18,24,27H,14,16-17H2,1-3H3,(H,29,30,31)

InChIKey

LMWUNARYDCVNIH-UHFFFAOYSA-N

Compound name

1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-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]+	487.23398	222.0
[M+Na]+	509.21592	228.7
[M-H]-	485.21942	229.1
[M+NH4]+	504.26052	225.1
[M+K]+	525.18986	221.1
[M+H-H2O]+	469.22396	207.9
[M+HCOO]-	531.22490	234.8
[M+CH3COO]-	545.24055	228.0
[M+Na-2H]-	507.20137	219.5
[M]+	486.22615	224.2
[M]-	486.22725	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.23398

222.0

[M+Na]+

509.21592

228.7

[M-H]-

485.21942

229.1

[M+NH4]+

504.26052

225.1

[M+K]+

525.18986

221.1

[M+H-H2O]+

469.22396

207.9

[M+HCOO]-

531.22490

234.8

[M+CH3COO]-

545.24055

228.0

[M+Na-2H]-

507.20137

219.5

[M]+

486.22615

224.2

[M]-

486.22725

224.2

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)-3-methyl-piperidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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