CID 749377

127040-60-2

Structural Information

Molecular Formula

C₁₄H₁₈N₂S₂

SMILES

C1CC(=S)N(C1)CC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2S2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)

InChIKey

SVYMFFQOQWQIIQ-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 5
Patents: 278.09116 Da
Monoisotopic Mass: 2.3
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]+	279.09844	162.1
[M+Na]+	301.08038	171.5
[M+NH4]+	296.12498	170.8
[M+K]+	317.05432	162.2
[M-H]-	277.08388	165.9
[M+Na-2H]-	299.06583	167.0
[M]+	278.09061	165.3
[M]-	278.09171	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe