CID 6482784

Schembl5002996

Structural Information

Molecular Formula
C21H21FN4S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN4S/c1-27-19-8-2-16(3-9-19)20-14-23-15-21(24-20)26-12-10-25(11-13-26)18-6-4-17(22)5-7-18/h2-9,14-15H,10-13H2,1H3
InChIKey
APCZJTNLGMPEMI-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.1471 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15438 190.7
[M+Na]+ 403.13632 198.3
[M-H]- 379.13982 195.9
[M+NH4]+ 398.18092 196.9
[M+K]+ 419.11026 189.2
[M+H-H2O]+ 363.14436 177.1
[M+HCOO]- 425.14530 199.7
[M+CH3COO]- 439.16095 198.1
[M+Na-2H]- 401.12177 190.6
[M]+ 380.14655 187.1
[M]- 380.14765 187.1
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