CID 10361780

5-[(4-bromophenyl)methyl]-2-(2-thienyl)-5h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C17H12BrN3S
SMILES
C1=CSC(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C17H12BrN3S/c18-13-5-3-12(4-6-13)10-21-8-7-14-15(11-21)20-17(19-14)16-2-1-9-22-16/h1-9,11H,10H2
InChIKey
MJZIGSVUFVWPSA-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

368.99353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.00081 169.5
[M+Na]+ 391.98275 185.6
[M-H]- 367.98625 181.0
[M+NH4]+ 387.02735 187.9
[M+K]+ 407.95669 172.7
[M+H-H2O]+ 351.99079 169.4
[M+HCOO]- 413.99173 187.2
[M+CH3COO]- 428.00738 184.5
[M+Na-2H]- 389.96820 173.1
[M]+ 368.99298 193.0
[M]- 368.99408 193.0
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