CID 516419

1-ethyl-6-isobutoxy-5-methyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCN1C2=C(C(=C(C=C2)OCC(C)C)C)C(=O)C=C1C3=CC=CC=C3
InChI
InChI=1S/C22H25NO2/c1-5-23-18-11-12-21(25-14-15(2)3)16(4)22(18)20(24)13-19(23)17-9-7-6-8-10-17/h6-13,15H,5,14H2,1-4H3
InChIKey
XXRYSJRJJPGZPF-UHFFFAOYSA-N
Compound name
1-ethyl-5-methyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.4
[M+Na]+ 358.17776 191.2
[M-H]- 334.18126 188.9
[M+NH4]+ 353.22236 196.3
[M+K]+ 374.15170 185.8
[M+H-H2O]+ 318.18580 173.0
[M+HCOO]- 380.18674 201.8
[M+CH3COO]- 394.20239 216.2
[M+Na-2H]- 356.16321 184.4
[M]+ 335.18799 186.8
[M]- 335.18909 186.8
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.