CID 121930

Papp

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18385 183.7
[M+Na]+ 372.16579 193.5
[M+NH4]+ 367.21039 188.9
[M+K]+ 388.13973 186.4
[M-H]- 348.16929 184.5
[M+Na-2H]- 370.15124 189.8
[M]+ 349.17602 185.1
[M]- 349.17712 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe