CID 6482799

2-(2,3-dimethylphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C23H23F3N4
SMILES
CC1=C(C(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C
InChI
InChI=1S/C23H23F3N4/c1-16-5-3-8-20(17(16)2)21-14-27-15-22(28-21)30-11-9-29(10-12-30)19-7-4-6-18(13-19)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3
InChIKey
GFUPKYPRENYDRS-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.18747 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19475 205.4
[M+Na]+ 435.17669 212.8
[M-H]- 411.18019 208.1
[M+NH4]+ 430.22129 209.6
[M+K]+ 451.15063 203.4
[M+H-H2O]+ 395.18473 188.9
[M+HCOO]- 457.18567 214.0
[M+CH3COO]- 471.20132 211.3
[M+Na-2H]- 433.16214 205.1
[M]+ 412.18692 197.8
[M]- 412.18802 197.8
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

No patent data available for this compound.