CID 3008489

1-(8-amino-5-cyclopentyl-6-quinolyl)ethanone

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC(=O)C1=CC(=C2C(=C1C3CCCC3)C=CC=N2)N
InChI
InChI=1S/C16H18N2O/c1-10(19)13-9-14(17)16-12(7-4-8-18-16)15(13)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,17H2,1H3
InChIKey
DROIRSLHZSYIAX-UHFFFAOYSA-N
Compound name
1-(8-amino-5-cyclopentylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.3
[M+Na]+ 277.13112 166.2
[M-H]- 253.13462 165.1
[M+NH4]+ 272.17572 177.3
[M+K]+ 293.10506 161.5
[M+H-H2O]+ 237.13916 151.6
[M+HCOO]- 299.14010 179.3
[M+CH3COO]- 313.15575 170.8
[M+Na-2H]- 275.11657 160.9
[M]+ 254.14135 155.9
[M]- 254.14245 155.9
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.