CID 6482915

Schembl4992408

Structural Information

Molecular Formula
C21H20F2N4S
SMILES
CSC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C21H20F2N4S/c1-28-17-5-2-15(3-6-17)19-13-24-14-21(25-19)27-10-8-26(9-11-27)20-7-4-16(22)12-18(20)23/h2-7,12-14H,8-11H2,1H3
InChIKey
WTAYVWSQMWYSLL-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.13766 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14494 194.5
[M+Na]+ 421.12688 203.0
[M-H]- 397.13038 198.7
[M+NH4]+ 416.17148 200.2
[M+K]+ 437.10082 193.4
[M+H-H2O]+ 381.13492 180.1
[M+HCOO]- 443.13586 202.4
[M+CH3COO]- 457.15151 201.6
[M+Na-2H]- 419.11233 193.1
[M]+ 398.13711 190.5
[M]- 398.13821 190.5
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