CID 60716331

N-methyl-2-(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C11H9F3N2
SMILES
CNC1=CC(=NC2=CC=CC=C21)C(F)(F)F
InChI
InChI=1S/C11H9F3N2/c1-15-9-6-10(11(12,13)14)16-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,15,16)
InChIKey
NHDVBUOOPYSGST-UHFFFAOYSA-N
Compound name
N-methyl-2-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.07178 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07906 145.2
[M+Na]+ 249.06100 155.0
[M-H]- 225.06450 144.9
[M+NH4]+ 244.10560 163.2
[M+K]+ 265.03494 150.5
[M+H-H2O]+ 209.06904 135.9
[M+HCOO]- 271.06998 163.9
[M+CH3COO]- 285.08563 192.4
[M+Na-2H]- 247.04645 153.4
[M]+ 226.07123 141.2
[M]- 226.07233 141.2
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

patents stripe