CID 3078834

1'-methyl-3-(o-tolyl)-spiro(benzo(b)thiophene-2(3h)-4'-piperidine) hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NS

SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3SC24CCN(CC4)C

InChI

InChI=1S/C20H23NS/c1-15-7-3-4-8-16(15)19-17-9-5-6-10-18(17)22-20(19)11-13-21(2)14-12-20/h3-10,19H,11-14H2,1-2H3

InChIKey

DLMCNNSJUBHHEO-UHFFFAOYSA-N

Compound name

1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.15512 Da
Monoisotopic Mass: 4.7
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]+	310.162396	173.5
[M+Na]+	332.144338	181.4
[M-H]-	308.147844	181.4
[M+NH4]+	327.188943	192.9
[M+K]+	348.118278	175.0
[M+H-H2O]+	292.152380	165.5
[M+HCOO]-	354.153321	186.2
[M+CH3COO]-	368.168971	184.3
[M+Na-2H]-	330.129786	173.8
[M]+	309.15457142	171.3
[M]-	309.15566858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.