CID 2802398

Maybridge3_000654

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS₂

SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)SC

InChI

InChI=1S/C10H12N2OS2/c1-7(13)11-8-3-5-9(6-4-8)12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey

YUOPOWBFBCYNOR-UHFFFAOYSA-N

Compound name

methyl N-(4-acetamidophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 240.03911 Da
Monoisotopic Mass: 1.8
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]+	241.04639	150.4
[M+Na]+	263.02833	156.5
[M-H]-	239.03183	153.4
[M+NH4]+	258.07293	167.8
[M+K]+	279.00227	151.4
[M+H-H2O]+	223.03637	143.6
[M+HCOO]-	285.03731	163.4
[M+CH3COO]-	299.05296	193.7
[M+Na-2H]-	261.01378	150.8
[M]+	240.03856	150.7
[M]-	240.03966	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.