CID 516400

1-ethyl-3-methyl-2-phenyl-6-propoxy-quinolin-4-one

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCCOC1=CC2=C(C=C1)N(C(=C(C2=O)C)C3=CC=CC=C3)CC
InChI
InChI=1S/C21H23NO2/c1-4-13-24-17-11-12-19-18(14-17)21(23)15(3)20(22(19)5-2)16-9-7-6-8-10-16/h6-12,14H,4-5,13H2,1-3H3
InChIKey
LPZVKWZEADUXJD-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2-phenyl-6-propoxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 178.1
[M+Na]+ 344.16210 187.7
[M-H]- 320.16560 184.8
[M+NH4]+ 339.20670 192.7
[M+K]+ 360.13604 182.0
[M+H-H2O]+ 304.17014 168.7
[M+HCOO]- 366.17108 198.9
[M+CH3COO]- 380.18673 212.4
[M+Na-2H]- 342.14755 181.8
[M]+ 321.17233 182.7
[M]- 321.17343 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.