CID 516405

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

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC1=C(N(C2=C(C1=O)C=C(C=C2)C(C)C)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23NO2/c1-13(2)16-8-11-19-18(12-16)21(23)14(3)20(22(19)4)15-6-9-17(24-5)10-7-15/h6-13H,1-5H3
InChIKey
PQZHQWBKSZWOOL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-dimethyl-6-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]+ 322.18016 177.3
[M+Na]+ 344.16210 187.5
[M-H]- 320.16560 184.5
[M+NH4]+ 339.20670 192.1
[M+K]+ 360.13604 182.5
[M+H-H2O]+ 304.17014 168.4
[M+HCOO]- 366.17108 197.1
[M+CH3COO]- 380.18673 214.6
[M+Na-2H]- 342.14755 179.2
[M]+ 321.17233 181.8
[M]- 321.17343 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.