CID 516406

6-isopropyl-1-methyl-2-(m-tolyl)quinolin-4-one

Structural Information

Molecular Formula
C20H21NO
SMILES
CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2C)C=CC(=C3)C(C)C
InChI
InChI=1S/C20H21NO/c1-13(2)15-8-9-18-17(11-15)20(22)12-19(21(18)4)16-7-5-6-14(3)10-16/h5-13H,1-4H3
InChIKey
BVBFCAWTBQTZSG-UHFFFAOYSA-N
Compound name
1-methyl-2-(3-methylphenyl)-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 169.3
[M+Na]+ 314.15154 179.3
[M-H]- 290.15504 176.3
[M+NH4]+ 309.19614 185.2
[M+K]+ 330.12548 173.7
[M+H-H2O]+ 274.15958 160.7
[M+HCOO]- 336.16052 189.4
[M+CH3COO]- 350.17617 208.3
[M+Na-2H]- 312.13699 172.5
[M]+ 291.16177 171.7
[M]- 291.16287 171.7
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.