CID 54593848

N-(1-carbamothioyl-1-methylethyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

CC(C)(C(=S)N)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H14N2OS/c1-11(2,10(12)15)13-9(14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,15)(H,13,14)

InChIKey

WSVPANCBAHVFHN-UHFFFAOYSA-N

Compound name

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.08269 Da
Monoisotopic Mass: 1.3
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]+	223.089966	150.1
[M+Na]+	245.071908	155.4
[M-H]-	221.075414	153.0
[M+NH4]+	240.116513	167.8
[M+K]+	261.045848	152.1
[M+H-H2O]+	205.079950	143.8
[M+HCOO]-	267.080891	166.9
[M+CH3COO]-	281.096541	191.9
[M+Na-2H]-	243.057356	152.2
[M]+	222.08214142	148.5
[M]-	222.08323858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.