CID 119157

100924-68-3

Structural Information

Molecular Formula

C₁₆H₁₇N₃OS

SMILES

CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)

InChIKey

JVIHSTYYPRUSFG-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-ylsulfinylmethyl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 112
Patents: 299.10922 Da
Monoisotopic Mass: 2.7
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]+	300.11650	166.1
[M+Na]+	322.09844	179.8
[M+NH4]+	317.14304	174.5
[M+K]+	338.07238	172.5
[M-H]-	298.10194	170.3
[M+Na-2H]-	320.08389	174.2
[M]+	299.10867	169.7
[M]-	299.10977	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe