PubChemLite - 1-[2-(imidazo(4,5-b)pyridin-2-yl]ethoxy]-2,6-bis(p-chlorophenyl)-3,5-dimethyl piperidin-4-one (C27H26Cl2N4O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H26Cl2N4O2/c1-16-24(18-5-9-20(28)10-6-18)33(25(17(2)26(16)34)19-7-11-21(29)12-8-19)35-15-13-23-31-22-4-3-14-30-27(22)32-23/h3-12,14,16-17,24-25H,13,15H2,1-2H3,(H,30,31,32)

InChIKey

WAKUWAYKXGPDDE-UHFFFAOYSA-N

Compound name

2,6-bis(4-chlorophenyl)-1-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethoxy]-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]+	509.15056	224.5
[M+Na]+	531.13250	234.2
[M-H]-	507.13600	230.7
[M+NH4]+	526.17710	228.8
[M+K]+	547.10644	223.8
[M+H-H2O]+	491.14054	210.9
[M+HCOO]-	553.14148	227.7
[M+CH3COO]-	567.15713	230.4
[M+Na-2H]-	529.11795	220.2
[M]+	508.14273	227.9
[M]-	508.14383	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.15056

224.5

[M+Na]+

531.13250

234.2

[M-H]-

507.13600

230.7

[M+NH4]+

526.17710

228.8

[M+K]+

547.10644

223.8

[M+H-H2O]+

491.14054

210.9

[M+HCOO]-

553.14148

227.7

[M+CH3COO]-

567.15713

230.4

[M+Na-2H]-

529.11795

220.2

[M]+

508.14273

227.9

[M]-

508.14383

227.9

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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