CID 391239

189067-62-7

Structural Information

Molecular Formula
C15H15NO3S2
SMILES
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3
InChI
InChI=1S/C15H15NO3S2/c1-2-19-15(18)12-9-5-3-6-10(9)21-14(12)16-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)
InChIKey
AVLHWHZPFYAHTA-UHFFFAOYSA-N
Compound name
ethyl 2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

321.04935 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05663 177.8
[M+Na]+ 344.03857 187.0
[M-H]- 320.04207 186.8
[M+NH4]+ 339.08317 199.3
[M+K]+ 360.01251 183.8
[M+H-H2O]+ 304.04661 174.1
[M+HCOO]- 366.04755 193.7
[M+CH3COO]- 380.06320 203.3
[M+Na-2H]- 342.02402 174.3
[M]+ 321.04880 184.7
[M]- 321.04990 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.