CID 16077356

Chembl243769

Structural Information

Molecular Formula
C21H16BrN3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C21H16BrN3/c22-18-9-6-17(7-10-18)14-25-13-12-19-20(15-25)24-21(23-19)11-8-16-4-2-1-3-5-16/h1-13,15H,14H2/b11-8+
InChIKey
XCTLPSVFKXKBHZ-DHZHZOJOSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

389.05276 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06004 186.9
[M+Na]+ 412.04198 198.6
[M-H]- 388.04548 196.0
[M+NH4]+ 407.08658 200.9
[M+K]+ 428.01592 184.1
[M+H-H2O]+ 372.05002 183.5
[M+HCOO]- 434.05096 204.7
[M+CH3COO]- 448.06661 198.7
[M+Na-2H]- 410.02743 192.0
[M]+ 389.05221 205.6
[M]- 389.05331 205.6
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