CID 3002268

N-(2-cyclohexyl-8-quinolyl)acetamide

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC(=O)NC1=CC=CC2=C1N=C(C=C2)C3CCCCC3
InChI
InChI=1S/C17H20N2O/c1-12(20)18-16-9-5-8-14-10-11-15(19-17(14)16)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,18,20)
InChIKey
ZGYNSVCOKCRHTC-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 162.7
[M+Na]+ 291.14678 167.2
[M-H]- 267.15028 167.7
[M+NH4]+ 286.19138 177.9
[M+K]+ 307.12072 162.7
[M+H-H2O]+ 251.15482 153.7
[M+HCOO]- 313.15576 180.6
[M+CH3COO]- 327.17141 172.8
[M+Na-2H]- 289.13223 167.2
[M]+ 268.15701 157.7
[M]- 268.15811 157.7
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.