CID 3044978

Quinoline, 2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C22H22F3N3
SMILES
C1CN(CCN1CCC2=NC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H22F3N3/c23-22(24,25)18-5-3-6-20(16-18)28-14-12-27(13-15-28)11-10-19-9-8-17-4-1-2-7-21(17)26-19/h1-9,16H,10-15H2
InChIKey
MSCLXDKCXGEGRZ-UHFFFAOYSA-N
Compound name
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

385.17657 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18385 195.9
[M+Na]+ 408.16579 201.9
[M-H]- 384.16929 196.9
[M+NH4]+ 403.21039 203.4
[M+K]+ 424.13973 193.2
[M+H-H2O]+ 368.17383 180.6
[M+HCOO]- 430.17477 204.9
[M+CH3COO]- 444.19042 202.1
[M+Na-2H]- 406.15124 198.3
[M]+ 385.17602 188.0
[M]- 385.17712 188.0
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