CID 6482681

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

Structural Information

Molecular Formula
C20H18F3N5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C20H18F3N5/c21-20(22,23)16-3-1-2-15(12-16)18-13-25-14-19(26-18)28-10-8-27(9-11-28)17-4-6-24-7-5-17/h1-7,12-14H,8-11H2
InChIKey
FOKURCCHENSYMY-UHFFFAOYSA-N
Compound name
2-(4-pyridin-4-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

385.15143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15871 195.2
[M+Na]+ 408.14065 202.0
[M-H]- 384.14415 196.2
[M+NH4]+ 403.18525 198.4
[M+K]+ 424.11459 192.7
[M+H-H2O]+ 368.14869 178.1
[M+HCOO]- 430.14963 203.4
[M+CH3COO]- 444.16528 200.9
[M+Na-2H]- 406.12610 198.1
[M]+ 385.15088 186.3
[M]- 385.15198 186.3
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