CID 16077353

Chembl388659

Structural Information

Molecular Formula
C22H20BrN3
SMILES
C1=CC=C(C=C1)CCCC2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C22H20BrN3/c23-19-11-9-18(10-12-19)15-26-14-13-20-21(16-26)25-22(24-20)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-14,16H,4,7-8,15H2
InChIKey
SZFXYYCLGLRXJH-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-(3-phenylpropyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

405.08405 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09133 192.1
[M+Na]+ 428.07327 202.9
[M-H]- 404.07677 200.8
[M+NH4]+ 423.11787 205.4
[M+K]+ 444.04721 188.8
[M+H-H2O]+ 388.08131 188.3
[M+HCOO]- 450.08225 209.3
[M+CH3COO]- 464.09790 203.3
[M+Na-2H]- 426.05872 196.5
[M]+ 405.08350 211.7
[M]- 405.08460 211.7
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