CID 10064916

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

Structural Information

Molecular Formula
C17H12ClN3S
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(S4)Cl
InChI
InChI=1S/C17H12ClN3S/c18-16-7-6-13(22-16)10-21-9-8-14-15(11-21)20-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKey
LOVSDELBEIUHLX-UHFFFAOYSA-N
Compound name
5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

325.04404 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05132 173.3
[M+Na]+ 348.03326 187.0
[M-H]- 324.03676 181.9
[M+NH4]+ 343.07786 190.1
[M+K]+ 364.00720 179.3
[M+H-H2O]+ 308.04130 165.1
[M+HCOO]- 370.04224 187.7
[M+CH3COO]- 384.05789 186.0
[M+Na-2H]- 346.01871 174.1
[M]+ 325.04349 180.2
[M]- 325.04459 180.2
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