CID 5328491

3-phenyl-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC=C(C=C1)N2C=NC3=C2N=CC=C3
InChI
InChI=1S/C12H9N3/c1-2-5-10(6-3-1)15-9-14-11-7-4-8-13-12(11)15/h1-9H
InChIKey
AGQWNWPWJSILEU-UHFFFAOYSA-N
Compound name
3-phenylimidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

217
Patents

195.07965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08693 139.6
[M+Na]+ 218.06887 150.6
[M-H]- 194.07237 143.9
[M+NH4]+ 213.11347 157.6
[M+K]+ 234.04281 145.7
[M+H-H2O]+ 178.07691 130.5
[M+HCOO]- 240.07785 162.7
[M+CH3COO]- 254.09350 153.3
[M+Na-2H]- 216.05432 149.2
[M]+ 195.07910 140.8
[M]- 195.08020 140.9
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