CID 516420

1-ethyl-6-isobutoxy-3,5-dimethyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCN1C2=C(C(=C(C=C2)OCC(C)C)C)C(=O)C(=C1C3=CC=CC=C3)C
InChI
InChI=1S/C23H27NO2/c1-6-24-19-12-13-20(26-14-15(2)3)16(4)21(19)23(25)17(5)22(24)18-10-8-7-9-11-18/h7-13,15H,6,14H2,1-5H3
InChIKey
CDRJPZDOFZYGID-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 186.8
[M+Na]+ 372.19342 196.0
[M-H]- 348.19692 193.4
[M+NH4]+ 367.23802 200.3
[M+K]+ 388.16736 190.5
[M+H-H2O]+ 332.20146 177.3
[M+HCOO]- 394.20240 205.8
[M+CH3COO]- 408.21805 220.4
[M+Na-2H]- 370.17887 187.5
[M]+ 349.20365 191.9
[M]- 349.20475 191.9
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.