CID 516423

5-amino-1-ethyl-6-isobutoxy-3-methyl-2-phenyl-quinolin-4-one

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCN1C2=C(C(=C(C=C2)OCC(C)C)N)C(=O)C(=C1C3=CC=CC=C3)C
InChI
InChI=1S/C22H26N2O2/c1-5-24-17-11-12-18(26-13-14(2)3)20(23)19(17)22(25)15(4)21(24)16-9-7-6-8-10-16/h6-12,14H,5,13,23H2,1-4H3
InChIKey
JLYZXVBXOWZYNF-UHFFFAOYSA-N
Compound name
5-amino-1-ethyl-3-methyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.8
[M+Na]+ 373.18865 196.6
[M-H]- 349.19215 194.1
[M+NH4]+ 368.23325 200.7
[M+K]+ 389.16259 191.0
[M+H-H2O]+ 333.19669 178.4
[M+HCOO]- 395.19763 207.6
[M+CH3COO]- 409.21328 222.0
[M+Na-2H]- 371.17410 188.5
[M]+ 350.19888 191.0
[M]- 350.19998 191.0
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.