CID 24212740

3-bromo-n-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C16H12BrNO2S
SMILES
COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Br
InChI
InChI=1S/C16H12BrNO2S/c1-20-11-6-4-5-10(9-11)18-16(19)15-14(17)12-7-2-3-8-13(12)21-15/h2-9H,1H3,(H,18,19)
InChIKey
BZOQNGWLQRXXLC-UHFFFAOYSA-N
Compound name
3-bromo-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.9772 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.98448 168.3
[M+Na]+ 383.96642 181.4
[M-H]- 359.96992 179.4
[M+NH4]+ 379.01102 188.3
[M+K]+ 399.94036 168.9
[M+H-H2O]+ 343.97446 168.0
[M+HCOO]- 405.97540 187.4
[M+CH3COO]- 419.99105 183.0
[M+Na-2H]- 381.95187 173.0
[M]+ 360.97665 191.8
[M]- 360.97775 191.8
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.