CID 6482949

2-(4-fluorophenyl)-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C21H18F4N4
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C3=NC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H18F4N4/c22-17-5-1-15(2-6-17)19-13-26-14-20(27-19)29-11-9-28(10-12-29)18-7-3-16(4-8-18)21(23,24)25/h1-8,13-14H,9-12H2
InChIKey
UJTABYGMSAXSJK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.14676 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15404 198.9
[M+Na]+ 425.13598 206.3
[M-H]- 401.13948 200.1
[M+NH4]+ 420.18058 203.1
[M+K]+ 441.10992 196.8
[M+H-H2O]+ 385.14402 181.5
[M+HCOO]- 447.14496 207.1
[M+CH3COO]- 461.16061 204.7
[M+Na-2H]- 423.12143 199.8
[M]+ 402.14621 189.2
[M]- 402.14731 189.2
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.