CID 471156

Chembl36070

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)C(=O)C3=NC=C4C=CC=NC4=C3O
InChI
InChI=1S/C22H16N2O2/c25-21(20-22(26)19-18(14-24-20)10-5-11-23-19)17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-11,13-14,26H,12H2
InChIKey
KOIRVGGHXVYBOP-UHFFFAOYSA-N
Compound name
(3-benzylphenyl)-(8-hydroxy-1,6-naphthyridin-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.