CID 473843

Chembl142072

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)CC2=CC(=NC=C2)C(=O)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C22H16N2O2/c25-21(18-9-8-17-7-4-11-24-20(17)22(18)26)19-14-16(10-12-23-19)13-15-5-2-1-3-6-15/h1-12,14,26H,13H2
InChIKey
WEIXAGQRLZTLOV-UHFFFAOYSA-N
Compound name
(4-benzylpyridin-2-yl)-(8-hydroxyquinolin-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

340.1212 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 181.8
[M+Na]+ 363.11042 189.4
[M-H]- 339.11392 188.2
[M+NH4]+ 358.15502 191.8
[M+K]+ 379.08436 182.1
[M+H-H2O]+ 323.11846 170.4
[M+HCOO]- 385.11940 199.4
[M+CH3COO]- 399.13505 191.2
[M+Na-2H]- 361.09587 187.3
[M]+ 340.12065 181.0
[M]- 340.12175 181.0
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