CID 24212617

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

Structural Information

Molecular Formula
C13H12BrNO2S
SMILES
CCOC1=CC=CC=C1NC(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C13H12BrNO2S/c1-2-17-11-6-4-3-5-10(11)15-13(16)12-9(14)7-8-18-12/h3-8H,2H2,1H3,(H,15,16)
InChIKey
PPKRTBYTAUDFCV-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-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]+ 325.984476 159.8
[M+Na]+ 347.966418 171.4
[M-H]- 323.969924 169.6
[M+NH4]+ 343.011023 180.0
[M+K]+ 363.940358 159.2
[M+H-H2O]+ 307.974460 159.2
[M+HCOO]- 369.975401 178.6
[M+CH3COO]- 383.991051 202.2
[M+Na-2H]- 345.951866 162.7
[M]+ 324.97665142 181.7
[M]- 324.97774858 181.7
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.