CID 6421749

N1,n2-bis(thiophen-2-ylmethyl)oxalamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S₂

SMILES

C1=CSC(=C1)CNC(=O)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C12H12N2O2S2/c15-11(13-7-9-3-1-5-17-9)12(16)14-8-10-4-2-6-18-10/h1-6H,7-8H2,(H,13,15)(H,14,16)

InChIKey

NOSYGNWELJYIQH-UHFFFAOYSA-N

Compound name

N,N'-bis(thiophen-2-ylmethyl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 280.03403 Da
Monoisotopic Mass: 1.7
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]+	281.04131	162.0
[M+Na]+	303.02325	169.6
[M+NH4]+	298.06785	169.8
[M+K]+	318.99719	164.0
[M-H]-	279.02675	165.2
[M+Na-2H]-	301.00870	167.2
[M]+	280.03348	164.5
[M]-	280.03458	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe