CID 6482839

2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine

Structural Information

Molecular Formula
C22H17F7N4
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H17F7N4/c23-17-3-1-2-4-19(17)32-5-7-33(8-6-32)20-13-30-12-18(31-20)14-9-15(21(24,25)26)11-16(10-14)22(27,28)29/h1-4,9-13H,5-8H2
InChIKey
MPKDDXQDADSDOX-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

470.13416 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.14144 214.6
[M+Na]+ 493.12338 223.1
[M-H]- 469.12688 212.6
[M+NH4]+ 488.16798 216.3
[M+K]+ 509.09732 212.6
[M+H-H2O]+ 453.13142 195.1
[M+HCOO]- 515.13236 217.5
[M+CH3COO]- 529.14801 218.5
[M+Na-2H]- 491.10883 213.2
[M]+ 470.13361 201.8
[M]- 470.13471 201.8
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

patents stripe