CID 128894

(4-acetamidophenyl) thiophene-2-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₁NO₃S

SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CS2

InChI

InChI=1S/C13H11NO3S/c1-9(15)14-10-4-6-11(7-5-10)17-13(16)12-3-2-8-18-12/h2-8H,1H3,(H,14,15)

InChIKey

FGNYPSLGEUCLPH-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl) thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 261.04596 Da
Monoisotopic Mass: 2.5
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]+	262.05324	158.0
[M+Na]+	284.03518	168.5
[M+NH4]+	279.07978	165.7
[M+K]+	300.00912	162.8
[M-H]-	260.03868	161.2
[M+Na-2H]-	282.02063	164.4
[M]+	261.04541	160.6
[M]-	261.04651	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe