CID 516403

1-ethyl-2-(3-fluorophenyl)-6-isopropyl-3-methyl-quinolin-4-one

Structural Information

Molecular Formula
C21H22FNO
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C(=C1C3=CC(=CC=C3)F)C
InChI
InChI=1S/C21H22FNO/c1-5-23-19-10-9-15(13(2)3)12-18(19)21(24)14(4)20(23)16-7-6-8-17(22)11-16/h6-13H,5H2,1-4H3
InChIKey
DBGWPYSILOFEHE-UHFFFAOYSA-N
Compound name
1-ethyl-2-(3-fluorophenyl)-3-methyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.16855 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17583 177.5
[M+Na]+ 346.15777 187.9
[M-H]- 322.16127 183.2
[M+NH4]+ 341.20237 192.2
[M+K]+ 362.13171 181.6
[M+H-H2O]+ 306.16581 167.7
[M+HCOO]- 368.16675 196.0
[M+CH3COO]- 382.18240 215.1
[M+Na-2H]- 344.14322 178.6
[M]+ 323.16800 179.5
[M]- 323.16910 179.5
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.