CID 10266766

Chembl219605

Structural Information

Molecular Formula
C20H17N3
SMILES
CC1=CC=CC=C1CN2C=CC3=NC(=NC3=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3/c1-15-7-5-6-10-17(15)13-23-12-11-18-19(14-23)22-20(21-18)16-8-3-2-4-9-16/h2-12,14H,13H2,1H3
InChIKey
HFSYSAPLOWPRCR-UHFFFAOYSA-N
Compound name
5-[(2-methylphenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

299.14224 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 172.4
[M+Na]+ 322.13146 181.8
[M-H]- 298.13496 179.3
[M+NH4]+ 317.17606 185.9
[M+K]+ 338.10540 174.4
[M+H-H2O]+ 282.13950 161.2
[M+HCOO]- 344.14044 192.4
[M+CH3COO]- 358.15609 183.4
[M+Na-2H]- 320.11691 177.2
[M]+ 299.14169 172.8
[M]- 299.14279 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

literature stripe

Patent stripe

patents stripe