CID 877409

93523-19-4

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=CS2
InChI
InChI=1S/C15H17NO2S/c1-2-18-13-7-5-12(6-8-13)16-10-9-14(17)15-4-3-11-19-15/h3-8,11,16H,2,9-10H2,1H3
InChIKey
DKVGYCOOGZSUTR-UHFFFAOYSA-N
Compound name
3-(4-ethoxyanilino)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.098 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 163.7
[M+Na]+ 298.08722 170.2
[M-H]- 274.09072 170.4
[M+NH4]+ 293.13182 181.7
[M+K]+ 314.06116 166.2
[M+H-H2O]+ 258.09526 156.5
[M+HCOO]- 320.09620 184.1
[M+CH3COO]- 334.11185 198.6
[M+Na-2H]- 296.07267 164.4
[M]+ 275.09745 167.5
[M]- 275.09855 167.5
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.