CID 2760629

N-(4-thioureido-phenyl)-acetamide

Structural Information

Molecular Formula

C₉H₁₁N₃OS

SMILES

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

InChI

InChI=1S/C9H11N3OS/c1-6(13)11-7-2-4-8(5-3-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)

InChIKey

WZUDNCUTQJSKJU-UHFFFAOYSA-N

Compound name

N-[4-(carbamothioylamino)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 209.06229 Da
Monoisotopic Mass: 1.1
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]+	210.06957	144.6
[M+Na]+	232.05151	150.5
[M-H]-	208.05501	147.8
[M+NH4]+	227.09611	162.6
[M+K]+	248.02545	147.0
[M+H-H2O]+	192.05955	137.7
[M+HCOO]-	254.06049	164.5
[M+CH3COO]-	268.07614	191.2
[M+Na-2H]-	230.03696	146.7
[M]+	209.06174	142.2
[M]-	209.06284	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe