CID 121930

1814-64-8

Structural Information

Molecular Formula

C₁₉H₂₂F₃N₃

SMILES

C1CN(CCN1CCC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2

InChIKey

GAAKALASJNGQKD-UHFFFAOYSA-N

Compound name

4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 57
References: 1197
Patents: 349.17657 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	350.18385	184.4
[M+Na]+	372.16579	189.7
[M-H]-	348.16929	185.9
[M+NH4]+	367.21039	193.7
[M+K]+	388.13973	182.5
[M+H-H2O]+	332.17383	171.0
[M+HCOO]-	394.17477	196.8
[M+CH3COO]-	408.19042	214.7
[M+Na-2H]-	370.15124	185.3
[M]+	349.17602	174.9
[M]-	349.17712	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe