CID 516425

7-isopropyl-6-methoxy-1,3-dimethyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC1=C(N(C2=CC(=C(C=C2C1=O)OC)C(C)C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-13(2)16-11-18-17(12-19(16)24-5)21(23)14(3)20(22(18)4)15-9-7-6-8-10-15/h6-13H,1-5H3
InChIKey
UBOYIGVYKPFQKY-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-dimethyl-2-phenyl-7-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 177.3
[M+Na]+ 344.162098 187.5
[M-H]- 320.165604 184.5
[M+NH4]+ 339.206703 192.1
[M+K]+ 360.136038 182.5
[M+H-H2O]+ 304.170140 168.4
[M+HCOO]- 366.171081 197.1
[M+CH3COO]- 380.186731 214.6
[M+Na-2H]- 342.147546 179.2
[M]+ 321.17233142 181.8
[M]- 321.17342858 181.8
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.