CID 6482853

2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

Structural Information

Molecular Formula
C21H17F5N4
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H17F5N4/c22-16-5-6-19(17(23)11-16)29-7-9-30(10-8-29)20-13-27-12-18(28-20)14-1-3-15(4-2-14)21(24,25)26/h1-6,11-13H,7-10H2
InChIKey
LURFFODWFJVROP-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.13733 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14461 203.2
[M+Na]+ 443.12655 211.6
[M-H]- 419.13005 203.5
[M+NH4]+ 438.17115 206.9
[M+K]+ 459.10049 201.6
[M+H-H2O]+ 403.13459 185.1
[M+HCOO]- 465.13553 210.3
[M+CH3COO]- 479.15118 208.7
[M+Na-2H]- 441.11200 202.7
[M]+ 420.13678 192.9
[M]- 420.13788 192.9
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