CID 3079004

Benzenamine, n,n-dimethyl-2-(((1-(4-methoxyphenyl)-1h-imidazol-2-yl)thio)methyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁N₃OS

SMILES

CN(C)C1=CC=CC=C1CSC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N3OS/c1-21(2)18-7-5-4-6-15(18)14-24-19-20-12-13-22(19)16-8-10-17(23-3)11-9-16/h4-13H,14H2,1-3H3

InChIKey

XESVHFJESWWPCN-UHFFFAOYSA-N

Compound name

2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.14053 Da
Monoisotopic Mass: 4.1
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]+	340.147806	180.2
[M+Na]+	362.129748	188.6
[M-H]-	338.133254	189.4
[M+NH4]+	357.174353	194.0
[M+K]+	378.103688	183.7
[M+H-H2O]+	322.137790	170.4
[M+HCOO]-	384.138731	199.3
[M+CH3COO]-	398.154381	191.5
[M+Na-2H]-	360.115196	180.4
[M]+	339.13998142	185.8
[M]-	339.14107858	185.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe