CID 122265

85273-95-6

Structural Information

Molecular Formula

C₁₉H₂₀N₂S

SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3

InChI

InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3

InChIKey

HYOLQGVNMQNERE-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 168
Patents: 308.1347 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]+	309.141976	171.1
[M+Na]+	331.123918	178.5
[M-H]-	307.127424	178.3
[M+NH4]+	326.168523	186.5
[M+K]+	347.097858	173.0
[M+H-H2O]+	291.131960	161.9
[M+HCOO]-	353.132901	188.7
[M+CH3COO]-	367.148551	182.2
[M+Na-2H]-	329.109366	175.5
[M]+	308.13415142	174.7
[M]-	308.13524858	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe