CID 6482800

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

Structural Information

Molecular Formula
C21H17ClF4N4
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=CN=C3)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C21H17ClF4N4/c22-17-10-14(4-5-18(17)23)19-12-27-13-20(28-19)30-8-6-29(7-9-30)16-3-1-2-15(11-16)21(24,25)26/h1-5,10-13H,6-9H2
InChIKey
AYUSXKKUSQKHKL-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

436.1078 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11508 203.8
[M+Na]+ 459.09702 212.7
[M-H]- 435.10052 205.0
[M+NH4]+ 454.14162 207.8
[M+K]+ 475.07096 202.1
[M+H-H2O]+ 419.10506 186.4
[M+HCOO]- 481.10600 207.4
[M+CH3COO]- 495.12165 209.5
[M+Na-2H]- 457.08247 203.6
[M]+ 436.10725 197.0
[M]- 436.10835 197.0
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