CID 6482894

2-(4-tert-butylphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C25H27F3N4
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C25H27F3N4/c1-24(2,3)19-9-7-18(8-10-19)22-16-29-17-23(30-22)32-13-11-31(12-14-32)21-6-4-5-20(15-21)25(26,27)28/h4-10,15-17H,11-14H2,1-3H3
InChIKey
OUUGQBVWZQQDCL-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

440.21878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22606 213.3
[M+Na]+ 463.20800 219.3
[M-H]- 439.21150 215.7
[M+NH4]+ 458.25260 216.2
[M+K]+ 479.18194 210.2
[M+H-H2O]+ 423.21604 196.9
[M+HCOO]- 485.21698 219.6
[M+CH3COO]- 499.23263 218.2
[M+Na-2H]- 461.19345 213.8
[M]+ 440.21823 205.3
[M]- 440.21933 205.3
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