CID 516401

Schembl5866582

Structural Information

Molecular Formula
C21H23NO
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C(=C1C3=CC=CC=C3)C
InChI
InChI=1S/C21H23NO/c1-5-22-19-12-11-17(14(2)3)13-18(19)21(23)15(4)20(22)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3
InChIKey
IWEKGNOTZWOVSX-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

305.17798 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 174.1
[M+Na]+ 328.16720 183.5
[M-H]- 304.17070 180.8
[M+NH4]+ 323.21180 189.3
[M+K]+ 344.14114 177.7
[M+H-H2O]+ 288.17524 165.1
[M+HCOO]- 350.17618 193.7
[M+CH3COO]- 364.19183 211.2
[M+Na-2H]- 326.15265 176.6
[M]+ 305.17743 176.7
[M]- 305.17853 176.7
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

patents stripe