CID 3008510

1-(8-amino-4-ethyl-5-hexoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)C(=O)C
InChI
InChI=1S/C19H26N2O2/c1-4-6-7-8-11-23-19-15(13(3)22)12-16(20)18-17(19)14(5-2)9-10-21-18/h9-10,12H,4-8,11,20H2,1-3H3
InChIKey
RRGCDBZTLNESKM-UHFFFAOYSA-N
Compound name
1-(8-amino-4-ethyl-5-hexoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 178.8
[M+Na]+ 337.18865 185.9
[M-H]- 313.19215 181.2
[M+NH4]+ 332.23325 193.2
[M+K]+ 353.16259 181.4
[M+H-H2O]+ 297.19669 170.5
[M+HCOO]- 359.19763 198.4
[M+CH3COO]- 373.21328 214.6
[M+Na-2H]- 335.17410 180.1
[M]+ 314.19888 182.8
[M]- 314.19998 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.