CID 516413

1-ethyl-6-(isobutylamino)-3-methyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C22H26N2O
SMILES
CCN1C2=C(C=C(C=C2)NCC(C)C)C(=O)C(=C1C3=CC=CC=C3)C
InChI
InChI=1S/C22H26N2O/c1-5-24-20-12-11-18(23-14-15(2)3)13-19(20)22(25)16(4)21(24)17-9-7-6-8-10-17/h6-13,15,23H,5,14H2,1-4H3
InChIKey
UWRCKDYUHWZNJO-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-6-(2-methylpropylamino)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 183.4
[M+Na]+ 357.19372 191.5
[M-H]- 333.19722 189.9
[M+NH4]+ 352.23832 197.1
[M+K]+ 373.16766 185.4
[M+H-H2O]+ 317.20176 173.9
[M+HCOO]- 379.20270 203.7
[M+CH3COO]- 393.21835 219.2
[M+Na-2H]- 355.17917 185.9
[M]+ 334.20395 185.8
[M]- 334.20505 185.8
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.