PubChemLite - Cyclopentyl-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-1-piperidyl]methanone (C34H44N4O)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CCC5(CCN(CC5)C(=O)C6CCCC6)C7=CC=CC=C7

InChI

InChI=1S/C34H44N4O/c1-25-35-31-13-7-8-14-32(31)38(25)30-23-28-15-16-29(24-30)37(28)22-19-34(27-11-3-2-4-12-27)17-20-36(21-18-34)33(39)26-9-5-6-10-26/h2-4,7-8,11-14,26,28-30H,5-6,9-10,15-24H2,1H3

InChIKey

GQPFEFJTOGPMSY-UHFFFAOYSA-N

Compound name

cyclopentyl-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]methanone

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]+	525.35878	229.2
[M+Na]+	547.34072	230.0
[M-H]-	523.34422	238.2
[M+NH4]+	542.38532	237.5
[M+K]+	563.31466	221.7
[M+H-H2O]+	507.34876	215.1
[M+HCOO]-	569.34970	234.6
[M+CH3COO]-	583.36535	232.6
[M+Na-2H]-	545.32617	217.3
[M]+	524.35095	221.6
[M]-	524.35205	221.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.35878

229.2

[M+Na]+

547.34072

230.0

[M-H]-

523.34422

238.2

[M+NH4]+

542.38532

237.5

[M+K]+

563.31466

221.7

[M+H-H2O]+

507.34876

215.1

[M+HCOO]-

569.34970

234.6

[M+CH3COO]-

583.36535

232.6

[M+Na-2H]-

545.32617

217.3

[M]+

524.35095

221.6

[M]-

524.35205

221.6

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

Cyclopentyl-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenyl-1-piperidyl]methanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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