CID 596799

Benzenemethanamine, 2-((2,4-dimethoxyphenyl)thio)-n,n-dimethyl-, hydrobromide

Structural Information

Molecular Formula

C₁₇H₂₁NO₂S

SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-10-9-14(19-3)11-15(17)20-4/h5-11H,12H2,1-4H3

InChIKey

RHBINFXLXUFIFV-UHFFFAOYSA-N

Compound name

1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.1293 Da
Monoisotopic Mass: 3.8
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]+	304.136576	170.3
[M+Na]+	326.118518	177.6
[M-H]-	302.122024	178.6
[M+NH4]+	321.163123	186.5
[M+K]+	342.092458	174.4
[M+H-H2O]+	286.126560	161.9
[M+HCOO]-	348.127501	190.3
[M+CH3COO]-	362.143151	210.4
[M+Na-2H]-	324.103966	171.5
[M]+	303.12875142	177.1
[M]-	303.12984858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.