CID 718816

Methyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylate

Structural Information

Molecular Formula

C₁₈H₁₅NO₄S

SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H15NO4S/c1-22-18(21)15-11-6-4-8-14(11)24-17(15)19-16(20)13-9-10-5-2-3-7-12(10)23-13/h2-3,5,7,9H,4,6,8H2,1H3,(H,19,20)

InChIKey

UESRWWJENVRBLU-UHFFFAOYSA-N

Compound name

methyl 2-(1-benzofuran-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.07217 Da
Monoisotopic Mass: 4.6
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]+	342.079446	180.0
[M+Na]+	364.061388	189.4
[M-H]-	340.064894	191.1
[M+NH4]+	359.105993	200.2
[M+K]+	380.035328	187.5
[M+H-H2O]+	324.069430	176.7
[M+HCOO]-	386.070371	199.7
[M+CH3COO]-	400.086021	192.9
[M+Na-2H]-	362.046836	179.2
[M]+	341.07162142	187.8
[M]-	341.07271858	187.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.