CID 24212736

3-bromo-n-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C17H14BrNOS
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br)C
InChI
InChI=1S/C17H14BrNOS/c1-10-7-8-13(11(2)9-10)19-17(20)16-15(18)12-5-3-4-6-14(12)21-16/h3-9H,1-2H3,(H,19,20)
InChIKey
FOYLNJNGCOYXEA-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.99796 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00524 169.6
[M+Na]+ 381.98718 183.3
[M-H]- 357.99068 180.9
[M+NH4]+ 377.03178 190.0
[M+K]+ 397.96112 170.0
[M+H-H2O]+ 341.99522 169.5
[M+HCOO]- 403.99616 188.1
[M+CH3COO]- 418.01181 184.4
[M+Na-2H]- 379.97263 173.0
[M]+ 358.99741 192.5
[M]- 358.99851 192.5
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.