CID 6482807

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

Structural Information

Molecular Formula
C21H17F6N5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H17F6N5/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)18-12-29-13-19(30-18)32-7-5-31(6-8-32)17-1-3-28-4-2-17/h1-4,9-13H,5-8H2
InChIKey
HXOMPFRNTWMNHK-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

453.13882 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.14610 210.8
[M+Na]+ 476.12804 218.7
[M-H]- 452.13154 208.6
[M+NH4]+ 471.17264 211.6
[M+K]+ 492.10198 208.4
[M+H-H2O]+ 436.13608 191.5
[M+HCOO]- 498.13702 213.7
[M+CH3COO]- 512.15267 214.6
[M+Na-2H]- 474.11349 211.4
[M]+ 453.13827 198.9
[M]- 453.13937 198.9
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