CID 463001

Chembl35842

Structural Information

Molecular Formula
C23H17NO2
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)C(=O)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
InChIKey
HISIYDZZYZHWFN-UHFFFAOYSA-N
Compound name
(3-benzylphenyl)-(8-hydroxyquinolin-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

339.12592 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13320 181.6
[M+Na]+ 362.11514 188.8
[M-H]- 338.11864 189.3
[M+NH4]+ 357.15974 193.0
[M+K]+ 378.08908 181.7
[M+H-H2O]+ 322.12318 171.0
[M+HCOO]- 384.12412 200.3
[M+CH3COO]- 398.13977 191.4
[M+Na-2H]- 360.10059 186.5
[M]+ 339.12537 180.7
[M]- 339.12647 180.7
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