CID 2823502

Maybridge1_005164

Structural Information

Molecular Formula

C₁₉H₁₉N₃OS

SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C19H19N3OS/c1-12-6-7-16-17(8-12)22-19(21-16)24-11-18(23)20-15-9-13-4-2-3-5-14(13)10-15/h2-8,15H,9-11H2,1H3,(H,20,23)(H,21,22)

InChIKey

UUOYGXGCVNGVQF-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1H-inden-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 337.12488 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]+	338.132156	177.7
[M+Na]+	360.114098	187.0
[M-H]-	336.117604	183.4
[M+NH4]+	355.158703	194.4
[M+K]+	376.088038	180.3
[M+H-H2O]+	320.122140	170.9
[M+HCOO]-	382.123081	193.4
[M+CH3COO]-	396.138731	188.4
[M+Na-2H]-	358.099546	178.3
[M]+	337.12433142	180.6
[M]-	337.12542858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.