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 186.2
[M+Na]+ 392.09272 193.6
[M-H]- 368.09622 195.9
[M+NH4]+ 387.13732 203.1
[M+K]+ 408.06666 190.9
[M+H-H2O]+ 352.10076 180.9
[M+HCOO]- 414.10170 202.8
[M+CH3COO]- 428.11735 197.3
[M+Na-2H]- 390.07817 186.1
[M]+ 369.10295 192.1
[M]- 369.10405 192.1
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.