CID 516424

6-isobutoxy-5-methoxy-1,3-dimethyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC1=C(N(C2=C(C1=O)C(=C(C=C2)OCC(C)C)OC)C)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO3/c1-14(2)13-26-18-12-11-17-19(22(18)25-5)21(24)15(3)20(23(17)4)16-9-7-6-8-10-16/h6-12,14H,13H2,1-5H3
InChIKey
ZIIWWMJINOKSMB-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 185.5
[M+Na]+ 374.17266 195.0
[M-H]- 350.17616 192.4
[M+NH4]+ 369.21726 198.9
[M+K]+ 390.14660 190.4
[M+H-H2O]+ 334.18070 176.0
[M+HCOO]- 396.18164 205.0
[M+CH3COO]- 410.19729 219.6
[M+Na-2H]- 372.15811 186.8
[M]+ 351.18289 191.7
[M]- 351.18399 191.7
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

No patent data available for this compound.