CID 6482761

Schembl4992191

Structural Information

Molecular Formula
C20H18F2N4
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H18F2N4/c21-16-7-5-15(6-8-16)18-13-23-14-20(24-18)26-11-9-25(10-12-26)19-4-2-1-3-17(19)22/h1-8,13-14H,9-12H2
InChIKey
CMQWTFKLVSGHOO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.14996 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15724 187.0
[M+Na]+ 375.13918 194.2
[M-H]- 351.14268 190.7
[M+NH4]+ 370.18378 193.2
[M+K]+ 391.11312 185.4
[M+H-H2O]+ 335.14722 171.2
[M+HCOO]- 397.14816 199.3
[M+CH3COO]- 411.16381 194.3
[M+Na-2H]- 373.12463 189.0
[M]+ 352.14941 179.6
[M]- 352.15051 179.6
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