CID 2810810

Maybridge4_001257

Structural Information

Molecular Formula

C₁₈H₁₇ClN₂OS

SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2OS/c1-12(2)21-16-9-8-14(19)10-15(16)20-18(21)23-11-17(22)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3

InChIKey

CARBQVGQWBIIAD-UHFFFAOYSA-N

Compound name

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)sulfanyl-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 344.075 Da
Monoisotopic Mass: 5.0
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]+	345.082276	178.4
[M+Na]+	367.064218	189.2
[M-H]-	343.067724	184.3
[M+NH4]+	362.108823	193.8
[M+K]+	383.038158	182.3
[M+H-H2O]+	327.072260	171.0
[M+HCOO]-	389.073201	189.7
[M+CH3COO]-	403.088851	189.7
[M+Na-2H]-	365.049666	178.1
[M]+	344.07445142	186.2
[M]-	344.07554858	186.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.