CID 10427080

Chembl216780

Structural Information

Molecular Formula
C23H17N3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H17N3/c1-2-8-18(9-3-1)23-24-21-13-14-26(16-22(21)25-23)15-19-11-6-10-17-7-4-5-12-20(17)19/h1-14,16H,15H2
InChIKey
XOJOAELDPAJCPP-UHFFFAOYSA-N
Compound name
5-(naphthalen-1-ylmethyl)-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

335.14224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14952 181.5
[M+Na]+ 358.13146 191.7
[M-H]- 334.13496 189.3
[M+NH4]+ 353.17606 194.1
[M+K]+ 374.10540 182.7
[M+H-H2O]+ 318.13950 169.4
[M+HCOO]- 380.14044 201.2
[M+CH3COO]- 394.15609 192.0
[M+Na-2H]- 356.11691 188.1
[M]+ 335.14169 182.7
[M]- 335.14279 182.7
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