CID 24212746

3-bromo-n-(4-butylphenyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C19H18BrNOS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br
InChI
InChI=1S/C19H18BrNOS/c1-2-3-6-13-9-11-14(12-10-13)21-19(22)18-17(20)15-7-4-5-8-16(15)23-18/h4-5,7-12H,2-3,6H2,1H3,(H,21,22)
InChIKey
DETBDJPHYDBDHL-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-butylphenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.02924 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03652 178.8
[M+Na]+ 410.01846 190.8
[M-H]- 386.02196 189.3
[M+NH4]+ 405.06306 197.8
[M+K]+ 425.99240 177.1
[M+H-H2O]+ 370.02650 178.1
[M+HCOO]- 432.02744 196.7
[M+CH3COO]- 446.04309 192.3
[M+Na-2H]- 408.00391 181.7
[M]+ 387.02869 201.9
[M]- 387.02979 201.9
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.