CID 670627

N-(3-chlorophenyl)-2-[(2-furylmethyl)amino]-2-thioxoacetamide

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂S

SMILES

C1=CC(=CC(=C1)Cl)NC(=O)C(=S)NCC2=CC=CO2

InChI

InChI=1S/C13H11ClN2O2S/c14-9-3-1-4-10(7-9)16-12(17)13(19)15-8-11-5-2-6-18-11/h1-7H,8H2,(H,15,19)(H,16,17)

InChIKey

QDAKSWLQXNGQOB-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.02298 Da
Monoisotopic Mass: 2.6
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]+	295.030256	167.5
[M+Na]+	317.012198	174.9
[M-H]-	293.015704	175.3
[M+NH4]+	312.056803	184.0
[M+K]+	332.986138	170.4
[M+H-H2O]+	277.020240	161.3
[M+HCOO]-	339.021181	183.2
[M+CH3COO]-	353.036831	199.5
[M+Na-2H]-	314.997646	168.8
[M]+	294.02243142	170.9
[M]-	294.02352858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.