CID 6482834

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

Structural Information

Molecular Formula
C22H18F6N4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H18F6N4/c23-21(24,25)16-10-15(11-17(12-16)22(26,27)28)19-13-29-14-20(30-19)32-8-6-31(7-9-32)18-4-2-1-3-5-18/h1-5,10-14H,6-9H2
InChIKey
IROFRQFXABUNDB-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.14355 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.15083 210.2
[M+Na]+ 475.13277 217.7
[M-H]- 451.13627 209.1
[M+NH4]+ 470.17737 212.4
[M+K]+ 491.10671 207.7
[M+H-H2O]+ 435.14081 191.4
[M+HCOO]- 497.14175 214.2
[M+CH3COO]- 511.15740 214.5
[M+Na-2H]- 473.11822 210.3
[M]+ 452.14300 198.1
[M]- 452.14410 198.1
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