CID 24212619

3-bromo-n-(2,4-dimethoxyphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H12BrNO3S
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=C(C=CS2)Br)OC
InChI
InChI=1S/C13H12BrNO3S/c1-17-8-3-4-10(11(7-8)18-2)15-13(16)12-9(14)5-6-19-12/h3-7H,1-2H3,(H,15,16)
InChIKey
MFUSBIKZRJSTBU-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.97214 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.97942 162.2
[M+Na]+ 363.96136 174.1
[M-H]- 339.96486 172.2
[M+NH4]+ 359.00596 181.8
[M+K]+ 379.93530 162.6
[M+H-H2O]+ 323.96940 161.4
[M+HCOO]- 385.97034 181.0
[M+CH3COO]- 399.98599 205.3
[M+Na-2H]- 361.94681 164.6
[M]+ 340.97159 185.6
[M]- 340.97269 185.6
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.