CID 2809120

Oprea1_721683

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₃S

SMILES

C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H12N2O3S/c17-15(19)14-11(18-16(20)12-7-4-8-21-12)9-13(22-14)10-5-2-1-3-6-10/h1-9H,(H2,17,19)(H,18,20)

InChIKey

WKUBAPNTBWINOY-UHFFFAOYSA-N

Compound name

N-(2-carbamoyl-5-phenylthiophen-3-yl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 312.05685 Da
Monoisotopic Mass: 3.3
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]+	313.064126	172.0
[M+Na]+	335.046068	180.4
[M-H]-	311.049574	183.7
[M+NH4]+	330.090673	188.4
[M+K]+	351.020008	177.3
[M+H-H2O]+	295.054110	165.4
[M+HCOO]-	357.055051	194.8
[M+CH3COO]-	371.070701	184.7
[M+Na-2H]-	333.031516	171.9
[M]+	312.05630142	175.5
[M]-	312.05739858	175.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.