CID 146014943

6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C17H11BrN2OS
SMILES
C1=CC2=C(C=CN2)C(=C1)NC(=O)C3=CC4=C(S3)C=C(C=C4)Br
InChI
InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKey
REBSMDZUSJUELV-UHFFFAOYSA-N
Compound name
6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

369.97754 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98482 169.2
[M+Na]+ 392.96676 174.1
[M+NH4]+ 388.01136 175.0
[M+K]+ 408.94070 173.7
[M-H]- 368.97026 172.3
[M+Na-2H]- 390.95221 173.7
[M]+ 369.97699 170.1
[M]- 369.97809 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe