CID 50972

Nofecainide

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₃

SMILES

CC(C)NCC(COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O

InChI

InChI=1S/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3

InChIKey

KUHVZVZAYMLXGA-UHFFFAOYSA-N

Compound name

3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 45
Patents: 340.17868 Da
Monoisotopic Mass: 2.2
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]+	341.185956	181.8
[M+Na]+	363.167898	186.7
[M-H]-	339.171404	186.4
[M+NH4]+	358.212503	195.5
[M+K]+	379.141838	182.4
[M+H-H2O]+	323.175940	173.4
[M+HCOO]-	385.176881	200.2
[M+CH3COO]-	399.192531	213.5
[M+Na-2H]-	361.153346	181.9
[M]+	340.17813142	182.6
[M]-	340.17922858	182.6

Literature stripe

literature stripe

Patent stripe

patents stripe