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

21
Patents

280.03403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04131 164.4
[M+Na]+ 303.02325 172.1
[M-H]- 279.02675 171.8
[M+NH4]+ 298.06785 183.9
[M+K]+ 318.99719 167.8
[M+H-H2O]+ 263.03129 158.0
[M+HCOO]- 325.03223 182.3
[M+CH3COO]- 339.04788 196.1
[M+Na-2H]- 301.00870 163.8
[M]+ 280.03348 168.0
[M]- 280.03458 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe