CID 9839975

Gt 2016

Structural Information

Molecular Formula

C₁₉H₃₁N₃O

SMILES

C1CCC(CC1)CCCCC(=O)N2CCC(CC2)C3=CN=CN3

InChI

InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)

InChIKey

YTCGNPGLMAECND-UHFFFAOYSA-N

Compound name

5-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]pentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 85
Patents: 317.2467 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	318.25398	183.2
[M+Na]+	340.23592	191.8
[M+NH4]+	335.28052	189.6
[M+K]+	356.20986	186.5
[M-H]-	316.23942	185.8
[M+Na-2H]-	338.22137	187.2
[M]+	317.24615	184.7
[M]-	317.24725	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe