CID 2805690

Maybridge4_000708

Structural Information

Molecular Formula

C₁₅H₁₄Cl₂N₂S₂

SMILES

C1CC(N(C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C15H14Cl2N2S2/c16-10-5-6-12(11(17)9-10)18-15(20)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-9,13H,1,3,7H2,(H,18,20)

InChIKey

MSQNZKKREVVRFP-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 355.99756 Da
Monoisotopic Mass: 4.7
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]+	357.004836	181.6
[M+Na]+	378.986778	191.2
[M-H]-	354.990284	190.3
[M+NH4]+	374.031383	199.2
[M+K]+	394.960718	183.5
[M+H-H2O]+	338.994820	176.6
[M+HCOO]-	400.995761	185.0
[M+CH3COO]-	415.011411	192.0
[M+Na-2H]-	376.972226	175.9
[M]+	355.99701142	183.9
[M]-	355.99810858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.