CID 454440

Bdbm1353

Structural Information

Molecular Formula
C20H16N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)CNC3=CC4=CC=CC=C4NC3=O
InChI
InChI=1S/C20H16N2O/c23-20-19(12-17-7-3-4-8-18(17)22-20)21-13-14-9-10-15-5-1-2-6-16(15)11-14/h1-12,21H,13H2,(H,22,23)
InChIKey
FUKBJBNZDPLOKS-UHFFFAOYSA-N
Compound name
3-(naphthalen-2-ylmethylamino)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

300.12625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 167.7
[M+Na]+ 323.11547 177.0
[M-H]- 299.11897 173.8
[M+NH4]+ 318.16007 182.2
[M+K]+ 339.08941 169.0
[M+H-H2O]+ 283.12351 158.2
[M+HCOO]- 345.12445 189.2
[M+CH3COO]- 359.14010 178.9
[M+Na-2H]- 321.10092 177.7
[M]+ 300.12570 167.4
[M]- 300.12680 167.4
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.