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]+ 276.105276 163.7
[M+Na]+ 298.087218 170.2
[M-H]- 274.090724 170.4
[M+NH4]+ 293.131823 181.7
[M+K]+ 314.061158 166.2
[M+H-H2O]+ 258.095260 156.5
[M+HCOO]- 320.096201 184.1
[M+CH3COO]- 334.111851 198.6
[M+Na-2H]- 296.072666 164.4
[M]+ 275.09745142 167.5
[M]- 275.09854858 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.