CID 16077350

5-[(4-bromophenyl)methyl]-2-(3-bromo-2-thienyl)imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C17H11Br2N3S
SMILES
C1=CC(=CC=C1CN2C=CC3=NC(=NC3=C2)C4=C(C=CS4)Br)Br
InChI
InChI=1S/C17H11Br2N3S/c18-12-3-1-11(2-4-12)9-22-7-5-14-15(10-22)21-17(20-14)16-13(19)6-8-23-16/h1-8,10H,9H2
InChIKey
LJBCYSDFBIKMHR-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(3-bromothiophen-2-yl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.90405 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.91133 161.9
[M+Na]+ 469.89327 176.8
[M-H]- 445.89677 173.4
[M+NH4]+ 464.93787 178.7
[M+K]+ 485.86721 161.9
[M+H-H2O]+ 429.90131 171.5
[M+HCOO]- 491.90225 175.6
[M+CH3COO]- 505.91790 176.4
[M+Na-2H]- 467.87872 166.3
[M]+ 446.90350 200.4
[M]- 446.90460 200.4
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

No patent data available for this compound.