CID 627766

3h-imidazo(4,5-b)pyridine, 3-(4-chlorophenyl)-2-(3-pyridinyl)-

Structural Information

Molecular Formula
C17H11ClN4
SMILES
C1=CC(=CN=C1)C2=NC3=C(N2C4=CC=C(C=C4)Cl)N=CC=C3
InChI
InChI=1S/C17H11ClN4/c18-13-5-7-14(8-6-13)22-16(12-3-1-9-19-11-12)21-15-4-2-10-20-17(15)22/h1-11H
InChIKey
HNCUKHQOLZNUAZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.06723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07451 169.4
[M+Na]+ 329.05645 181.8
[M-H]- 305.05995 175.2
[M+NH4]+ 324.10105 182.1
[M+K]+ 345.03039 173.2
[M+H-H2O]+ 289.06449 157.8
[M+HCOO]- 351.06543 185.4
[M+CH3COO]- 365.08108 180.9
[M+Na-2H]- 327.04190 176.1
[M]+ 306.06668 172.8
[M]- 306.06778 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe