CID 9965017

68524-30-1

Structural Information

Molecular Formula

C₁₅H₁₅NOS

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)N

InChI

InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)

InChIKey

HCRQRIFRHGPWBH-UHFFFAOYSA-N

Compound name

2-benzhydrylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 228
Patents: 257.08743 Da
Monoisotopic Mass: 3.0
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]+	258.09471	157.2
[M+Na]+	280.07665	169.7
[M+NH4]+	275.12125	166.3
[M+K]+	296.05059	160.4
[M-H]-	256.08015	162.4
[M+Na-2H]-	278.06210	166.1
[M]+	257.08688	160.9
[M]-	257.08798	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe