CID 3060094

1-piperidineacetamide, n-methyl-n-(p-(phenylthio)phenyl)-, oxalate

Structural Information

Molecular Formula

C₂₀H₂₄N₂OS

SMILES

CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCCC3

InChI

InChI=1S/C20H24N2OS/c1-21(20(23)16-22-14-6-3-7-15-22)17-10-12-19(13-11-17)24-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-16H2,1H3

InChIKey

QYVOIIMAGRIBJM-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-phenylsulfanylphenyl)-2-piperidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.16095 Da
Monoisotopic Mass: 4.3
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]+	341.168226	180.6
[M+Na]+	363.150168	183.3
[M-H]-	339.153674	188.5
[M+NH4]+	358.194773	192.5
[M+K]+	379.124108	178.7
[M+H-H2O]+	323.158210	170.4
[M+HCOO]-	385.159151	194.6
[M+CH3COO]-	399.174801	189.3
[M+Na-2H]-	361.135616	180.6
[M]+	340.16040142	178.5
[M]-	340.16149858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.