CID 3002271

2,4-dicyclohexyl-n-trifluoroacetyl-8-aminoquinoline

Structural Information

Molecular Formula
C23H27F3N2O
SMILES
C1CCC(CC1)C2=CC(=NC3=C2C=CC=C3NC(=O)C(F)(F)F)C4CCCCC4
InChI
InChI=1S/C23H27F3N2O/c24-23(25,26)22(29)28-19-13-7-12-17-18(15-8-3-1-4-9-15)14-20(27-21(17)19)16-10-5-2-6-11-16/h7,12-16H,1-6,8-11H2,(H,28,29)
InChIKey
CGFLXVZNVKWJFH-UHFFFAOYSA-N
Compound name
N-(2,4-dicyclohexylquinolin-8-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.20755 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21483 197.4
[M+Na]+ 427.19677 199.1
[M-H]- 403.20027 200.0
[M+NH4]+ 422.24137 206.3
[M+K]+ 443.17071 192.3
[M+H-H2O]+ 387.20481 184.0
[M+HCOO]- 449.20575 205.1
[M+CH3COO]- 463.22140 225.0
[M+Na-2H]- 425.18222 196.2
[M]+ 404.20700 184.2
[M]- 404.20810 184.2
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.