CID 981418

Ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Structural Information

Molecular Formula
C20H19NO4S
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C20H19NO4S/c1-2-24-20(23)17-13-8-4-6-10-16(13)26-19(17)21-18(22)15-11-12-7-3-5-9-14(12)25-15/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,21,22)
InChIKey
MHZOMSXAKCTIEQ-UHFFFAOYSA-N
Compound name
ethyl 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1035 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11078 183.9
[M+Na]+ 392.09272 194.6
[M+NH4]+ 387.13732 192.0
[M+K]+ 408.06666 190.2
[M-H]- 368.09622 189.0
[M+Na-2H]- 390.07817 187.7
[M]+ 369.10295 187.2
[M]- 369.10405 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.