CID 25195461

1127498-03-6

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O

SMILES

CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3

InChIKey

HYOGJHCDLQSAHX-UHFFFAOYSA-N

Compound name

1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 123
Patents: 344.16553 Da
Monoisotopic Mass: 4.6
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]+	345.172806	183.9
[M+Na]+	367.154748	190.7
[M-H]-	343.158254	189.7
[M+NH4]+	362.199353	195.1
[M+K]+	383.128688	183.3
[M+H-H2O]+	327.162790	173.2
[M+HCOO]-	389.163731	196.1
[M+CH3COO]-	403.179381	193.0
[M+Na-2H]-	365.140196	184.5
[M]+	344.16498142	183.4
[M]-	344.16607858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe