CID 164181

4-quinolinamine, 8-fluoro-n-(2-(2-(trifluoromethyl)phenyl)ethyl)-

Structural Information

Molecular Formula
C18H14F4N2
SMILES
C1=CC=C(C(=C1)CCNC2=C3C=CC=C(C3=NC=C2)F)C(F)(F)F
InChI
InChI=1S/C18H14F4N2/c19-15-7-3-5-13-16(9-11-24-17(13)15)23-10-8-12-4-1-2-6-14(12)18(20,21)22/h1-7,9,11H,8,10H2,(H,23,24)
InChIKey
MIVNGPXKABZGSG-UHFFFAOYSA-N
Compound name
8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.1093 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11658 175.6
[M+Na]+ 357.09852 184.7
[M-H]- 333.10202 176.6
[M+NH4]+ 352.14312 188.7
[M+K]+ 373.07246 177.2
[M+H-H2O]+ 317.10656 163.1
[M+HCOO]- 379.10750 192.0
[M+CH3COO]- 393.12315 213.1
[M+Na-2H]- 355.08397 181.0
[M]+ 334.10875 170.8
[M]- 334.10985 170.8
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