CID 2254592

Ethyl 4,5-dimethyl-2-[(phenoxyacetyl)amino]thiophene-3-carboxylate

Structural Information

Molecular Formula
C17H19NO4S
SMILES
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C17H19NO4S/c1-4-21-17(20)15-11(2)12(3)23-16(15)18-14(19)10-22-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKey
WJBLDMFEMYVNOM-UHFFFAOYSA-N
Compound name
ethyl 4,5-dimethyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.1035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11078 178.6
[M+Na]+ 356.09272 185.4
[M-H]- 332.09622 185.7
[M+NH4]+ 351.13732 194.5
[M+K]+ 372.06666 182.2
[M+H-H2O]+ 316.10076 171.3
[M+HCOO]- 378.10170 197.7
[M+CH3COO]- 392.11735 209.9
[M+Na-2H]- 354.07817 176.3
[M]+ 333.10295 185.2
[M]- 333.10405 185.2
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

patents stripe