CID 2787704

6281-61-4

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

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

InChI

InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)

InChIKey

KZULWIHHNWYETK-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)carbamothioyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11
Patents: 270.08267 Da
Monoisotopic Mass: 4.4
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]+	271.08995	161.2
[M+Na]+	293.07189	173.0
[M+NH4]+	288.11649	169.6
[M+K]+	309.04583	164.0
[M-H]-	269.07539	166.5
[M+Na-2H]-	291.05734	169.8
[M]+	270.08212	164.7
[M]-	270.08322	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe