CID 1944110

294653-52-4

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

C1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)

InChIKey

UEYUFQWEHMSHIX-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethylsulfanyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 11
Patents: 270.08267 Da
Monoisotopic Mass: 4.0
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]+	271.08995	158.8
[M+Na]+	293.07189	173.9
[M+NH4]+	288.11649	168.1
[M+K]+	309.04583	164.9
[M-H]-	269.07539	162.9
[M+Na-2H]-	291.05734	167.7
[M]+	270.08212	162.7
[M]-	270.08322	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe