CID 986278

301305-76-0

Structural Information

Molecular Formula
C19H21NO5S
SMILES
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H21NO5S/c1-4-25-19(22)16-12-6-5-7-15(12)26-18(16)20-17(21)11-8-9-13(23-2)14(10-11)24-3/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKey
UEKFHFJQYIKZRO-UHFFFAOYSA-N
Compound name
ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11404 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12132 189.3
[M+Na]+ 398.10326 196.0
[M-H]- 374.10676 197.5
[M+NH4]+ 393.14786 206.4
[M+K]+ 414.07720 193.5
[M+H-H2O]+ 358.11130 183.5
[M+HCOO]- 420.11224 207.2
[M+CH3COO]- 434.12789 217.3
[M+Na-2H]- 396.08871 185.9
[M]+ 375.11349 197.1
[M]- 375.11459 197.1
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.