CID 16072539

N-[2-(1-piperidyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine

Structural Information

Molecular Formula
C18H19F6N3
SMILES
C1CCN(CC1)CCNC2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H19F6N3/c19-17(20,21)13-6-4-5-12-14(11-15(18(22,23)24)26-16(12)13)25-7-10-27-8-2-1-3-9-27/h4-6,11H,1-3,7-10H2,(H,25,26)
InChIKey
FDYOFNOILWCKAC-UHFFFAOYSA-N
Compound name
N-(2-piperidin-1-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14832 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15560 191.4
[M+Na]+ 414.13754 197.9
[M-H]- 390.14104 187.4
[M+NH4]+ 409.18214 200.5
[M+K]+ 430.11148 190.5
[M+H-H2O]+ 374.14558 176.6
[M+HCOO]- 436.14652 198.3
[M+CH3COO]- 450.16217 222.2
[M+Na-2H]- 412.12299 193.4
[M]+ 391.14777 179.7
[M]- 391.14887 179.7
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.