CID 516399

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

Structural Information

Molecular Formula
C21H23NO
SMILES
CCCC1=CC2=C(C=C1)N(C(=C(C2=O)C)C3=CC=CC=C3)CC
InChI
InChI=1S/C21H23NO/c1-4-9-16-12-13-19-18(14-16)21(23)15(3)20(22(19)5-2)17-10-7-6-8-11-17/h6-8,10-14H,4-5,9H2,1-3H3
InChIKey
CGRQJFDNHVMGCT-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2-phenyl-6-propylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 174.5
[M+Na]+ 328.16720 184.3
[M-H]- 304.17070 181.2
[M+NH4]+ 323.21180 189.8
[M+K]+ 344.14114 177.9
[M+H-H2O]+ 288.17524 165.4
[M+HCOO]- 350.17618 195.2
[M+CH3COO]- 364.19183 210.3
[M+Na-2H]- 326.15265 178.2
[M]+ 305.17743 177.8
[M]- 305.17853 177.8
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.