CID 728738

307526-47-2

Structural Information

Molecular Formula

C₁₇H₁₈N₂OS

SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2OS/c1-11-9-12(2)15(13(3)10-11)18-17(21)19-16(20)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,18,19,20,21)

InChIKey

YHXYWEFRWVSTRI-UHFFFAOYSA-N

Compound name

N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6
Patents: 298.11398 Da
Monoisotopic Mass: 4.6
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]+	299.12126	170.6
[M+Na]+	321.10320	182.8
[M+NH4]+	316.14780	178.7
[M+K]+	337.07714	173.7
[M-H]-	297.10670	175.9
[M+Na-2H]-	319.08865	178.3
[M]+	298.11343	174.3
[M]-	298.11453	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe