PubChemLite - 1-[2-(3h-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3,5-dimethyl-piperidin-4-one (C29H32N4O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H32N4O4/c1-18-26(20-7-11-22(35-3)12-8-20)33(37-17-15-25-31-24-6-5-16-30-29(24)32-25)27(19(2)28(18)34)21-9-13-23(36-4)14-10-21/h5-14,16,18-19,26-27H,15,17H2,1-4H3,(H,30,31,32)

InChIKey

NFYWCLKSBLLUBJ-UHFFFAOYSA-N

Compound name

1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-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]+	501.24965	227.4
[M+Na]+	523.23159	234.6
[M-H]-	499.23509	234.7
[M+NH4]+	518.27619	230.3
[M+K]+	539.20553	226.9
[M+H-H2O]+	483.23963	213.4
[M+HCOO]-	545.24057	239.9
[M+CH3COO]-	559.25622	233.3
[M+Na-2H]-	521.21704	223.7
[M]+	500.24182	230.4
[M]-	500.24292	230.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.24965

227.4

[M+Na]+

523.23159

234.6

[M-H]-

499.23509

234.7

[M+NH4]+

518.27619

230.3

[M+K]+

539.20553

226.9

[M+H-H2O]+

483.23963

213.4

[M+HCOO]-

545.24057

239.9

[M+CH3COO]-

559.25622

233.3

[M+Na-2H]-

521.21704

223.7

[M]+

500.24182

230.4

[M]-

500.24292

230.4

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)-3,5-dimethyl-piperidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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