CID 718227

243669-48-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S₂

SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)N

InChI

InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3

InChIKey

AKFDBWIUWIWHRK-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 111
Patents: 253.02312 Da
Monoisotopic Mass: 3.4
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]+	254.03040	155.1
[M+Na]+	276.01234	165.0
[M+NH4]+	271.05694	163.8
[M+K]+	291.98628	159.0
[M-H]-	252.01584	158.6
[M+Na-2H]-	273.99779	160.1
[M]+	253.02257	158.3
[M]-	253.02367	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe