CID 30184

2-(2'-dimethylaminoethylthio)benzimidazoline bromide hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₅N₃S

SMILES

CN(C)CCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C11H15N3S/c1-14(2)7-8-15-11-12-9-5-3-4-6-10(9)13-11/h3-6H,7-8H2,1-2H3,(H,12,13)

InChIKey

WYOUIGHZJRCQLW-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 221.09866 Da
Monoisotopic Mass: 2.1
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]+	222.10594	147.4
[M+Na]+	244.08788	159.6
[M+NH4]+	239.13248	156.3
[M+K]+	260.06182	152.4
[M-H]-	220.09138	149.7
[M+Na-2H]-	242.07333	153.5
[M]+	221.09811	150.2
[M]-	221.09921	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe