CID 2876953

2-(1h-benzimidazol-2-ylsulfanyl)-n-(2,4,6-trimethylphenyl)propanamide

Structural Information

Molecular Formula

C₁₉H₂₁N₃OS

SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C19H21N3OS/c1-11-9-12(2)17(13(3)10-11)22-18(23)14(4)24-19-20-15-7-5-6-8-16(15)21-19/h5-10,14H,1-4H3,(H,20,21)(H,22,23)

InChIKey

CKWVOYDXVGANLE-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.14053 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]+	340.147806	180.6
[M+Na]+	362.129748	189.9
[M-H]-	338.133254	185.4
[M+NH4]+	357.174353	194.7
[M+K]+	378.103688	183.2
[M+H-H2O]+	322.137790	172.9
[M+HCOO]-	384.138731	195.7
[M+CH3COO]-	398.154381	191.0
[M+Na-2H]-	360.115196	180.1
[M]+	339.13998142	184.6
[M]-	339.14107858	184.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.