CID 2789276

Dimethyl 2-{[(2-chlorophenoxy)acetyl]amino}-5,6-dihydro-4h-cyclopenta[b]thiophene-3,4-dicarboxylate

Structural Information

Molecular Formula
C19H18ClNO6S
SMILES
COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=CC=CC=C3Cl)C(=O)OC
InChI
InChI=1S/C19H18ClNO6S/c1-25-18(23)10-7-8-13-15(10)16(19(24)26-2)17(28-13)21-14(22)9-27-12-6-4-3-5-11(12)20/h3-6,10H,7-9H2,1-2H3,(H,21,22)
InChIKey
MXVSRYBLGRTGGF-UHFFFAOYSA-N
Compound name
dimethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.05432 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06160 195.2
[M+Na]+ 446.04354 203.4
[M+NH4]+ 441.08814 200.9
[M+K]+ 462.01748 200.6
[M-H]- 422.04704 196.4
[M+Na-2H]- 444.02899 197.1
[M]+ 423.05377 197.0
[M]- 423.05487 197.0
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.