CID 986272

Ethyl 2-[2-(4-chlorophenoxy)acetamido]-4h,5h,6h-cyclopenta[b]thiophene-3-carboxylate

Structural Information

Molecular Formula
C18H18ClNO4S
SMILES
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNO4S/c1-2-23-18(22)16-13-4-3-5-14(13)25-17(16)20-15(21)10-24-12-8-6-11(19)7-9-12/h6-9H,2-5,10H2,1H3,(H,20,21)
InChIKey
FFWGGWISEVNJFT-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0645 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07178 190.2
[M+Na]+ 402.05372 197.7
[M-H]- 378.05722 198.4
[M+NH4]+ 397.09832 208.0
[M+K]+ 418.02766 193.1
[M+H-H2O]+ 362.06176 185.2
[M+HCOO]- 424.06270 203.9
[M+CH3COO]- 438.07835 214.4
[M+Na-2H]- 400.03917 187.1
[M]+ 379.06395 198.0
[M]- 379.06505 198.0
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.