CID 24212604

3-bromo-n-(4-ethoxyphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H12BrNO2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C13H12BrNO2S/c1-2-17-10-5-3-9(4-6-10)15-13(16)12-11(14)7-8-18-12/h3-8H,2H2,1H3,(H,15,16)
InChIKey
FAMYXLJTNDLZIB-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-ethoxyphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9772 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.98448 156.8
[M+Na]+ 347.96642 159.1
[M+NH4]+ 343.01102 161.7
[M+K]+ 363.94036 158.8
[M-H]- 323.96992 159.1
[M+Na-2H]- 345.95187 160.8
[M]+ 324.97665 156.9
[M]- 324.97775 156.9
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.