CID 6482798

2-(p-tolyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C22H21F3N4
SMILES
CC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N4/c1-16-5-7-17(8-6-16)20-14-26-15-21(27-20)29-11-9-28(10-12-29)19-4-2-3-18(13-19)22(23,24)25/h2-8,13-15H,9-12H2,1H3
InChIKey
HNLAVNPWCJPSPM-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.17184 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17912 200.1
[M+Na]+ 421.16106 206.9
[M-H]- 397.16456 202.5
[M+NH4]+ 416.20566 204.5
[M+K]+ 437.13500 197.7
[M+H-H2O]+ 381.16910 183.5
[M+HCOO]- 443.17004 209.0
[M+CH3COO]- 457.18569 206.0
[M+Na-2H]- 419.14651 201.1
[M]+ 398.17129 191.7
[M]- 398.17239 191.7
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.