CID 42884

Lorcainide

Structural Information

Molecular Formula

C₂₂H₂₇ClN₂O

SMILES

CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3

InChIKey

XHOJAWVAWFHGHL-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 162
References: 1443
Patents: 370.18118 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]+	371.18846	190.6
[M+Na]+	393.17040	193.4
[M-H]-	369.17390	198.3
[M+NH4]+	388.21500	201.6
[M+K]+	409.14434	188.0
[M+H-H2O]+	353.17844	180.3
[M+HCOO]-	415.17938	203.2
[M+CH3COO]-	429.19503	221.8
[M+Na-2H]-	391.15585	189.3
[M]+	370.18063	189.0
[M]-	370.18173	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe