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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07945 180.0
[M+Na]+ 364.06139 189.4
[M-H]- 340.06489 191.1
[M+NH4]+ 359.10599 200.2
[M+K]+ 380.03533 187.5
[M+H-H2O]+ 324.06943 176.7
[M+HCOO]- 386.07037 199.7
[M+CH3COO]- 400.08602 192.9
[M+Na-2H]- 362.04684 179.2
[M]+ 341.07162 187.8
[M]- 341.07272 187.8
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.