CID 986272

Ethyl 2-[2-(4-chlorophenoxy)acetamido]-4h,5h,6h-cyclopenta[b]thiophene-3-carboxylate

Structural Information

Molecular Formula

C₁₈H₁₈ClNO₄S

SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO4S/c1-2-23-18(22)16-13-4-3-5-14(13)25-17(16)20-15(21)10-24-12-8-6-11(19)7-9-12/h6-9H,2-5,10H2,1H3,(H,20,21)

InChIKey

FFWGGWISEVNJFT-UHFFFAOYSA-N

Compound name

ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.0645 Da
Monoisotopic Mass: 4.9
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]+	380.071776	190.2
[M+Na]+	402.053718	197.7
[M-H]-	378.057224	198.4
[M+NH4]+	397.098323	208.0
[M+K]+	418.027658	193.1
[M+H-H2O]+	362.061760	185.2
[M+HCOO]-	424.062701	203.9
[M+CH3COO]-	438.078351	214.4
[M+Na-2H]-	400.039166	187.1
[M]+	379.06395142	198.0
[M]-	379.06504858	198.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.