CID 3002272

2-cyclohexyl-n-trifluoroacetyl-8-aminoquinoline

Structural Information

Molecular Formula
C17H17F3N2O
SMILES
C1CCC(CC1)C2=NC3=C(C=CC=C3NC(=O)C(F)(F)F)C=C2
InChI
InChI=1S/C17H17F3N2O/c18-17(19,20)16(23)22-14-8-4-7-12-9-10-13(21-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,22,23)
InChIKey
SCKWZCBWHAMOMK-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylquinolin-8-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1293 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13658 172.8
[M+Na]+ 345.11852 178.1
[M-H]- 321.12202 174.0
[M+NH4]+ 340.16312 185.8
[M+K]+ 361.09246 172.6
[M+H-H2O]+ 305.12656 161.4
[M+HCOO]- 367.12750 185.8
[M+CH3COO]- 381.14315 208.8
[M+Na-2H]- 343.10397 176.2
[M]+ 322.12875 164.1
[M]- 322.12985 164.1
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.