CID 4179869

93523-16-1

Structural Information

Molecular Formula
C14H15NO2S
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC=CS2
InChI
InChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)15-9-8-13(16)14-3-2-10-18-14/h2-7,10,15H,8-9H2,1H3
InChIKey
UKEAUCFXIDCTOS-UHFFFAOYSA-N
Compound name
3-(4-methoxyanilino)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.089616 159.3
[M+Na]+ 284.071558 166.2
[M-H]- 260.075064 166.2
[M+NH4]+ 279.116163 177.9
[M+K]+ 300.045498 162.5
[M+H-H2O]+ 244.079600 152.2
[M+HCOO]- 306.080541 180.0
[M+CH3COO]- 320.096191 195.7
[M+Na-2H]- 282.057006 160.5
[M]+ 261.08179142 162.7
[M]- 261.08288858 162.7
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.