CID 16077343

Chembl242015

Structural Information

Molecular Formula
C19H13Br2N3
SMILES
C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C19H13Br2N3/c20-14-7-5-13(6-8-14)11-24-10-9-17-18(12-24)23-19(22-17)15-3-1-2-4-16(15)21/h1-10,12H,11H2
InChIKey
XORJZAFPELBACY-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-[(4-bromophenyl)methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

440.94763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.95491 175.5
[M+Na]+ 463.93685 186.6
[M-H]- 439.94035 185.0
[M+NH4]+ 458.98145 189.2
[M+K]+ 479.91079 171.2
[M+H-H2O]+ 423.94489 182.5
[M+HCOO]- 485.94583 189.3
[M+CH3COO]- 499.96148 187.5
[M+Na-2H]- 461.92230 180.9
[M]+ 440.94708 210.1
[M]- 440.94818 210.1
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