CID 6482746

Schembl5000830

Structural Information

Molecular Formula
C20H18ClFN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H18ClFN4/c21-16-2-1-3-18(12-16)25-8-10-26(11-9-25)20-14-23-13-19(24-20)15-4-6-17(22)7-5-15/h1-7,12-14H,8-11H2
InChIKey
GDPAIRBOJIBLIY-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-fluorophenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.1204 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12768 188.8
[M+Na]+ 391.10962 196.5
[M-H]- 367.11312 193.3
[M+NH4]+ 386.15422 195.2
[M+K]+ 407.08356 187.1
[M+H-H2O]+ 351.11766 173.8
[M+HCOO]- 413.11860 197.5
[M+CH3COO]- 427.13425 196.2
[M+Na-2H]- 389.09507 190.9
[M]+ 368.11985 184.6
[M]- 368.12095 184.6
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