CID 516402

2-(3-fluorophenyl)-6-isopropyl-1,3-dimethyl-quinolin-4-one

Structural Information

Molecular Formula
C20H20FNO
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C)C3=CC(=CC=C3)F
InChI
InChI=1S/C20H20FNO/c1-12(2)14-8-9-18-17(11-14)20(23)13(3)19(22(18)4)15-6-5-7-16(21)10-15/h5-12H,1-4H3
InChIKey
KRRXEKUIWXNPMB-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1,3-dimethyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1529 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16018 172.7
[M+Na]+ 332.14212 183.6
[M-H]- 308.14562 178.6
[M+NH4]+ 327.18672 188.0
[M+K]+ 348.11606 177.5
[M+H-H2O]+ 292.15016 163.2
[M+HCOO]- 354.15110 191.6
[M+CH3COO]- 368.16675 212.1
[M+Na-2H]- 330.12757 174.4
[M]+ 309.15235 174.4
[M]- 309.15345 174.4
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.