CID 6482951

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

Structural Information

Molecular Formula
C22H21F3N4S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N4S/c1-30-19-8-2-16(3-9-19)20-14-26-15-21(27-20)29-12-10-28(11-13-29)18-6-4-17(5-7-18)22(23,24)25/h2-9,14-15H,10-13H2,1H3
InChIKey
SNNNZPMHYQBTTM-UHFFFAOYSA-N
Compound name
2-(4-methylsulfanylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.1439 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15118 202.3
[M+Na]+ 453.13312 209.9
[M-H]- 429.13662 204.9
[M+NH4]+ 448.17772 206.5
[M+K]+ 469.10706 200.1
[M+H-H2O]+ 413.14116 187.1
[M+HCOO]- 475.14210 207.2
[M+CH3COO]- 489.15775 208.2
[M+Na-2H]- 451.11857 201.4
[M]+ 430.14335 196.6
[M]- 430.14445 196.6
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

No patent data available for this compound.